Gaussian 16 GINC-CIBELES2-320 VALENTIN Optimization Tefluthrin-trans/ CONF42 gas EM64L-G16RevC.01 13-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 41 41 106 106 686 (5D, 7F) 6-311+G(d,p) 117 117 C1[X(C17H14ClF7O2)] C1[X(C17H14ClF7O2)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 404.62252239999975 0 1 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.6617,-2.4733,-.347;5.3808,1.3158,-.7693;5.387,-.2389,-2.2594;6.7509,-.3364,-.6032;-2.4747,-1.0179,-2.2133;-3.9697,.4386,1.9947;-5.6553,2.1296,.8199;-4.1639,.6819,-3.3916;-1.0354,-.5267,.8638;.0004,-2.3952,1.5181;2.0788,-.3859,2.7212;2.5688,-.9042,1.3987;1.1766,-.3083,1.5123;2.5925,.9328,3.2506;1.8316,-1.3979,3.8136;3.5747,-.1996,.6049;.0178,-1.2105,1.3174;4.4983,-.7693,-.1603;-2.2179,-1.2814,.5974;5.5096,.0002,-.9533;-3.1817,-.3522,-.0706;-3.2524,-.2516,-1.4518;-4.0071,.482,.665;-4.8827,1.3606,.0525;-4.1268,.6267,-2.061;-4.9639,1.4547,-1.3277;-5.8969,2.4,-2.0199;2.5814,-1.9847,1.3157;1.0401,.6858,1.1016;2.689,1.7005,2.4835;3.5699,.8044,3.718;1.9105,1.3222,4.0077;1.5281,-2.3693,3.4335;1.0572,-1.0461,4.4974;2.746,-1.5349,4.393;3.5673,.8825,.6371;-2.6312,-1.675,1.5271;-1.9908,-2.135,-.0416;-5.3413,3.1622,-2.5666;-6.5231,1.8743,-2.7397;-6.5501,2.906,-1.3154; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/valentin/opt-b3lyp-pople.com-5087989/Gau-31128.inp" -scrdir="/temporal/valentin/opt-b3lyp-pople.com-5087989/" chk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-trans/gaussian/gas/CONF42 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization Tefluthrin-trans/ CONF42 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 35 19 19 19 19 19 19 19 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 2 3 4 5 6 7 8 9 9 10 11 11 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 18 19 19 19 21 21 22 23 24 25 26 27 27 27 18 20 20 20 22 23 24 25 17 19 17 12 13 14 15 13 16 28 17 29 30 31 32 33 34 35 18 36 20 21 37 38 22 23 25 24 26 26 27 39 40 41 1.7219 1.3346 1.3335 1.3329 1.3312 1.3309 1.3331 1.3323 1.3351 1.4279 1.2017 1.5027 1.5104 1.5109 1.5095 1.5187 1.4623 1.0837 1.4815 1.0842 1.0895 1.091 1.0908 1.0864 1.0913 1.0911 1.3279 1.0826 1.4979 1.4962 1.091 1.0901 1.3866 1.385 1.3811 1.3834 1.3858 1.3871 1.4978 1.0902 1.0893 1.0858 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 17 12 12 13 13 14 11 11 13 13 16 11 11 12 12 17 11 11 11 30 30 31 11 11 11 33 33 34 12 12 18 9 9 10 1 1 16 9 9 9 21 21 37 2 2 2 3 3 4 19 19 22 5 5 21 6 6 21 7 7 23 8 8 22 24 24 25 26 26 26 39 39 40 9 11 11 11 11 11 12 12 12 12 12 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 27 27 27 19 14 15 14 15 15 16 28 16 28 28 17 29 17 29 29 30 31 32 31 32 32 33 34 35 34 35 35 18 36 36 10 13 13 16 20 20 21 37 38 37 38 38 3 4 18 4 18 18 22 23 23 21 25 25 21 24 24 23 26 26 22 26 26 25 27 27 39 40 41 40 41 41 116.4888 119.908 117.3258 116.0189 121.0509 112.7821 122.3981 114.5237 118.824 114.0523 115.5278 122.7716 115.1807 117.9212 116.5425 114.2049 113.4757 110.6097 110.0136 107.7674 107.0052 107.7428 113.0808 110.7033 109.3423 108.0078 107.9184 107.6049 125.7683 117.4419 116.7893 123.3824 110.4811 126.1332 123.5753 112.7633 123.6615 106.7714 110.207 110.5331 111.1303 111.0235 107.2126 107.6325 107.6098 111.6082 107.317 111.3694 111.0964 121.5058 121.3877 117.0629 119.8867 118.9249 121.1866 119.6201 118.7401 121.6385 118.577 120.011 121.4116 118.9832 119.1116 121.905 116.7851 122.6614 120.5529 110.8292 111.0284 111.6514 107.4017 107.8269 107.9283 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 19 19 17 17 17 14 14 15 15 14 14 15 15 12 12 12 13 13 13 15 15 15 12 12 12 13 13 13 14 14 14 16 16 28 28 11 11 13 13 28 28 11 11 12 12 29 29 12 12 36 36 1 1 1 16 16 16 9 9 37 37 38 38 19 19 23 23 19 19 22 22 5 5 21 21 6 6 21 21 7 7 23 23 8 8 22 22 24 24 24 25 25 25 9 9 9 9 9 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 16 16 16 16 18 18 18 18 18 18 19 19 19 19 19 19 21 21 21 21 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 26 26 17 17 19 19 19 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 13 13 13 13 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 23 23 23 23 25 25 25 25 24 24 24 24 26 26 26 26 26 26 26 26 27 27 27 27 27 27 10 13 21 37 38 16 28 16 28 17 29 17 29 30 31 32 30 31 32 30 31 32 33 34 35 33 34 35 33 34 35 17 29 17 29 18 36 18 36 18 36 9 10 9 10 9 10 1 20 1 20 2 3 4 2 3 4 22 23 22 23 22 23 5 25 5 25 6 24 6 24 8 26 8 26 7 26 7 26 25 27 25 27 24 27 24 27 39 40 41 39 40 41 -0.9382 178.439 -172.2905 66.9041 -51.4277 2.1818 150.4491 -140.9527 7.3146 -143.3259 3.9707 -0.494 146.8026 40.5534 -80.6963 160.3904 -28.9145 -150.1642 90.9225 -174.7631 63.9873 -54.9261 -30.3512 -151.7035 89.9153 40.0614 -81.2908 160.328 -176.015 62.6327 -55.7485 133.6474 -7.9252 -8.0062 -149.5787 146.135 -34.1512 -142.9499 36.7639 -1.8407 177.8731 137.4216 -43.2222 -152.6001 26.756 -10.1615 169.1947 0.1026 -179.8864 -179.6129 0.3981 -178.6433 61.0358 -58.5382 1.3467 -118.9741 121.4519 92.7373 -84.7893 -147.0483 35.425 -27.8123 154.6611 1.7356 -178.7571 179.3646 -1.128 -1.6133 178.8037 -179.2453 1.1717 -0.1009 -179.9286 -179.6129 0.5594 -0.0067 179.7724 179.5799 -0.641 179.7951 0.0642 0.0191 -179.7117 -179.8083 -0.0715 0.0192 179.756 114.4072 -126.3134 -5.8206 -65.3138 53.9656 174.4584 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 0.10000e-02 0.10000e-05 F 713 A 686 A 1101 713 2677.1926334088 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 686 RedAO= T EigKep= 1.25D-06 NBF= 686 NBsUse= 685 1.00D-06 EigRej= 9.35D-07 NBFU= 685 Berny optimization. local minimum Step number 30 out of a maximum of 218 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00009 0.00096 0.00137 0.00232 0.00280 0.00468 0.00779 0.01020 0.01625 0.01767 0.01796 0.01960 0.02047 0.02060 0.02272 0.02283 0.02291 0.02299 0.02303 0.02312 0.02331 0.02447 0.02533 0.02865 0.03038 0.04099 0.04643 0.05216 0.05511 0.05576 0.05855 0.05939 0.06724 0.06852 0.07332 0.07730 0.09743 0.10421 0.10858 0.11274 0.12155 0.12735 0.13776 0.15484 0.15974 0.15992 0.16001 0.16010 0.16014 0.16022 0.16045 0.16080 0.16205 0.16509 0.18259 0.18611 0.21559 0.21946 0.22608 0.24036 0.24292 0.24700 0.24823 0.24949 0.24999 0.24999 0.25002 0.25005 0.25072 0.25132 0.25176 0.25356 0.25551 0.27008 0.29316 0.29970 0.30456 0.31282 0.31564 0.32220 0.32591 0.33471 0.33643 0.34463 0.34641 0.34670 0.34695 0.34714 0.34746 0.34825 0.34889 0.35021 0.35237 0.35465 0.35550 0.35585 0.35747 0.36223 0.37380 0.38791 0.41158 0.44257 0.44491 0.48178 0.48540 0.48919 0.49796 0.53781 0.57278 0.58140 0.58872 0.59113 0.59171 0.59294 0.60587 0.62803 1.02950 -2.86124939e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 3.30337 2.55523 2.55179 2.55308 2.54042 2.54152 2.54537 2.54484 2.55955 2.74333 2.28414 2.86949 2.88104 2.86979 2.86765 2.89614 2.76995 2.04721 2.80494 2.04665 2.06217 2.06745 2.06659 2.05780 2.06842 2.06719 2.52098 2.04765 2.84931 2.83074 2.05939 2.05926 2.63022 2.63054 2.62337 2.62245 2.63187 2.63149 2.84208 2.06793 2.05945 2.05938 2.01316 2.09405 2.04225 2.02819 2.09941 1.97737 2.13946 1.99326 2.08035 1.97651 2.02194 2.12572 2.01907 2.05763 2.04755 1.99079 1.97407 1.92450 1.91560 1.88578 1.87701 1.88413 1.96012 1.92419 1.90997 1.88983 1.89487 1.88303 2.20383 2.05664 2.02271 2.15050 1.92706 2.20560 2.16211 1.97870 2.14237 1.86953 1.90365 1.90402 1.94269 1.94388 1.89928 1.87005 1.86927 1.94590 1.86673 1.95394 1.95291 2.12425 2.11964 2.03904 2.08707 2.07584 2.12026 2.08550 2.07653 2.12114 2.07393 2.08278 2.12647 2.07368 2.08239 2.12711 2.03231 2.12568 2.12513 1.92696 1.93157 1.93186 1.88146 1.88190 1.90869 0.00165 -3.13313 3.10737 1.00281 -1.06964 0.04154 2.63711 -2.46754 0.12803 -2.49416 0.05659 0.00046 2.55121 0.68367 -1.42998 2.77977 -0.52950 -2.64315 1.56660 -3.06861 1.10093 -0.97250 -0.57965 -2.68876 1.52601 0.64133 -1.46778 2.74699 -3.12985 1.04423 -1.02419 2.35132 -0.13463 -0.11989 -2.60584 2.48603 -0.65357 -2.55581 0.58778 -0.10133 3.04226 2.29963 -0.83488 -2.76634 0.38233 -0.25983 2.88884 0.00205 -3.13798 -3.14151 0.00165 -3.14117 1.04726 -1.04813 -0.00100 -2.09575 2.09205 1.59370 -1.52267 -2.60993 0.55688 -0.48697 2.67985 0.01928 -3.12753 3.13676 -0.01005 -0.01949 3.12707 -3.13703 0.00953 -0.00023 3.14036 -3.13664 0.00395 0.00063 -3.13951 3.13728 -0.00286 3.13952 0.00958 -0.00353 -3.13347 -3.13960 -0.00966 0.00300 3.13294 1.56904 -2.63244 -0.51339 -1.56028 0.52142 2.64048 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00002 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00002 -0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00002 -0.00001 -0.00001 -0.00001 0.00001 0.00003 -0.00001 -0.00000 -0.00002 0.00000 0.00002 -0.00002 0.00001 -0.00002 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00002 -0.00002 0.00002 -0.00001 0.00002 0.00001 0.00002 -0.00002 -0.00001 0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00001 0.00004 0.00003 -0.00037 -0.00037 -0.00038 0.00000 0.00004 -0.00002 0.00002 0.00003 0.00005 0.00001 0.00003 -0.00010 -0.00010 -0.00010 -0.00011 -0.00011 -0.00011 -0.00008 -0.00009 -0.00008 -0.00007 -0.00007 -0.00007 -0.00007 -0.00007 -0.00007 -0.00009 -0.00009 -0.00009 -0.00006 -0.00005 -0.00003 -0.00002 0.00030 0.00029 0.00030 0.00030 0.00026 0.00026 0.00007 0.00006 0.00007 0.00006 0.00006 0.00005 -0.00000 0.00002 0.00000 0.00003 -0.00004 -0.00005 -0.00005 -0.00006 -0.00007 -0.00007 0.00040 0.00039 0.00040 0.00039 0.00039 0.00038 -0.00002 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00001 0.00001 0.00002 -0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00033 -0.00031 -0.00031 -0.00031 -0.00030 -0.00030 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00002 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00002 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00002 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00000 0.00001 0.00001 0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00003 -0.00001 -0.00001 -0.00002 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00002 0.00000 -0.00002 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00004 0.00004 -0.00004 0.00002 -0.00003 -0.00003 -0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 -0.00001 0.00002 -0.00001 0.00000 -0.00003 0.00003 0.00001 0.00001 -0.00001 0.00002 -0.00001 -0.00003 -0.00002 -0.00002 0.00019 0.00019 0.00019 0.00000 0.00000 0.00001 0.00001 -0.00001 0.00003 -0.00002 0.00003 -0.00018 -0.00017 -0.00017 -0.00018 -0.00018 -0.00018 -0.00018 -0.00018 -0.00018 -0.00004 -0.00003 -0.00003 -0.00003 -0.00002 -0.00002 -0.00003 -0.00003 -0.00003 -0.00005 -0.00001 -0.00005 -0.00001 -0.00011 -0.00011 -0.00010 -0.00011 -0.00011 -0.00011 0.00015 0.00014 0.00015 0.00014 0.00011 0.00010 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00012 -0.00012 -0.00012 -0.00011 -0.00012 -0.00012 0.00002 -0.00000 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00000 -0.00001 -0.00000 0.00002 -0.00002 0.00001 -0.00003 -0.00001 0.00003 -0.00001 0.00002 -0.00027 -0.00023 -0.00027 -0.00031 -0.00027 -0.00031 0.00000 -0.00001 -0.00000 0.00002 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00003 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00002 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00002 -0.00002 -0.00002 0.00000 0.00000 0.00003 -0.00002 -0.00001 -0.00002 0.00000 0.00006 -0.00003 0.00000 -0.00004 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00002 0.00002 -0.00002 0.00001 -0.00001 -0.00002 0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00002 0.00001 -0.00001 0.00002 -0.00000 -0.00000 -0.00004 0.00004 0.00001 0.00001 -0.00001 0.00004 -0.00002 -0.00002 0.00002 0.00000 -0.00018 -0.00019 -0.00019 0.00000 0.00004 -0.00001 0.00003 0.00002 0.00008 -0.00001 0.00005 -0.00027 -0.00027 -0.00027 -0.00029 -0.00029 -0.00029 -0.00027 -0.00027 -0.00026 -0.00010 -0.00010 -0.00010 -0.00009 -0.00009 -0.00009 -0.00012 -0.00012 -0.00012 -0.00010 -0.00006 -0.00007 -0.00003 0.00019 0.00018 0.00020 0.00018 0.00016 0.00014 0.00022 0.00020 0.00022 0.00021 0.00016 0.00015 -0.00001 0.00001 0.00001 0.00002 -0.00005 -0.00006 -0.00005 -0.00006 -0.00007 -0.00006 0.00027 0.00027 0.00028 0.00028 0.00027 0.00027 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00001 -0.00000 0.00000 0.00001 -0.00002 0.00001 -0.00002 -0.00000 0.00002 -0.00001 0.00001 -0.00060 -0.00054 -0.00058 -0.00062 -0.00057 -0.00060 3.30338 2.55522 2.55179 2.55310 2.54042 2.54152 2.54537 2.54484 2.55957 2.74332 2.28414 2.86948 2.88104 2.86978 2.86765 2.89617 2.76994 2.04721 2.80492 2.04665 2.06217 2.06745 2.06659 2.05780 2.06842 2.06719 2.52098 2.04766 2.84929 2.83075 2.05939 2.05926 2.63022 2.63054 2.62337 2.62244 2.63188 2.63149 2.84209 2.06792 2.05944 2.05939 2.01317 2.09407 2.04223 2.02817 2.09941 1.97737 2.13950 1.99324 2.08034 1.97649 2.02195 2.12578 2.01904 2.05764 2.04751 1.99080 1.97408 1.92451 1.91560 1.88577 1.87701 1.88413 1.96012 1.92419 1.90997 1.88983 1.89487 1.88303 2.20384 2.05664 2.02270 2.15050 1.92706 2.20560 2.16212 1.97870 2.14236 1.86954 1.90366 1.90402 1.94269 1.94387 1.89928 1.87007 1.86929 1.94588 1.86674 1.95394 1.95289 2.12426 2.11963 2.03903 2.08707 2.07583 2.12026 2.08550 2.07653 2.12114 2.07394 2.08277 2.12647 2.07367 2.08241 2.12710 2.03231 2.12564 2.12518 1.92697 1.93158 1.93185 1.88150 1.88188 1.90867 0.00167 -3.13312 3.10718 1.00263 -1.06983 0.04154 2.63716 -2.46755 0.12806 -2.49415 0.05667 0.00045 2.55126 0.68340 -1.43025 2.77950 -0.52979 -2.64344 1.56632 -3.06887 1.10066 -0.97277 -0.57976 -2.68886 1.52591 0.64123 -1.46787 2.74690 -3.12997 1.04411 -1.02431 2.35122 -0.13469 -0.11997 -2.60587 2.48622 -0.65339 -2.55561 0.58797 -0.10117 3.04240 2.29985 -0.83468 -2.76612 0.38254 -0.25967 2.88899 0.00204 -3.13797 -3.14150 0.00167 -3.14122 1.04720 -1.04817 -0.00106 -2.09582 2.09199 1.59398 -1.52240 -2.60965 0.55716 -0.48670 2.68011 0.01928 -3.12753 3.13676 -0.01005 -0.01949 3.12707 -3.13704 0.00952 -0.00023 3.14037 -3.13664 0.00396 0.00063 -3.13951 3.13728 -0.00286 3.13953 0.00956 -0.00353 -3.13349 -3.13961 -0.00964 0.00299 3.13296 1.56844 -2.63299 -0.51397 -1.56090 0.52085 2.63987 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000011 0.000002 0.000859 0.000252 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.852115e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 2 3 4 5 6 7 8 9 9 10 11 11 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 18 19 19 19 21 21 22 23 24 25 26 27 27 27 18 20 20 20 22 23 24 25 17 19 17 12 13 14 15 13 16 28 17 29 30 31 32 33 34 35 18 36 20 21 37 38 22 23 25 24 26 26 27 39 40 41 1.7481 1.3522 1.3503 1.351 1.3443 1.3449 1.3469 1.3467 1.3545 1.4517 1.2087 1.5185 1.5246 1.5186 1.5175 1.5326 1.4658 1.0833 1.4843 1.083 1.0913 1.094 1.0936 1.0889 1.0946 1.0939 1.334 1.0836 1.5078 1.498 1.0898 1.0897 1.3919 1.392 1.3882 1.3877 1.3927 1.3925 1.504 1.0943 1.0898 1.0898 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 17 12 12 13 13 14 11 11 13 13 16 11 11 12 12 17 11 11 11 30 30 31 11 11 11 33 33 34 12 12 18 9 9 10 1 1 16 9 9 9 21 21 37 2 2 2 3 3 4 19 19 22 5 5 21 6 6 21 7 7 23 8 8 22 24 24 25 26 26 26 39 39 40 9 11 11 11 11 11 12 12 12 12 12 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 27 27 27 19 14 15 14 15 15 16 28 16 28 28 17 29 17 29 29 30 31 32 31 32 32 33 34 35 34 35 35 18 36 36 10 13 13 16 20 20 21 37 38 37 38 38 3 4 18 4 18 18 22 23 23 21 25 25 21 24 24 23 26 26 22 26 26 25 27 27 39 40 41 40 41 41 115.3455 119.98 117.0123 116.2066 120.2872 113.2947 122.5821 114.2055 119.195 113.2456 115.8488 121.7948 115.684 117.8937 117.3158 114.0641 113.1059 110.2658 109.7559 108.0472 107.545 107.9529 112.3068 110.2478 109.433 108.2793 108.568 107.8896 126.2702 117.8369 115.8928 123.2147 110.4125 126.3714 123.8797 113.3713 122.7489 107.1164 109.0712 109.0923 111.3081 111.376 108.8209 107.1459 107.1011 111.4918 106.956 111.9528 111.8937 121.7105 121.4464 116.8283 119.5805 118.9371 121.4818 119.4906 118.9762 121.5326 118.8277 119.3348 121.8375 118.8133 119.3124 121.8742 116.4428 121.7926 121.7611 110.4068 110.6707 110.6874 107.7997 107.825 109.3601 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 19 19 17 17 17 14 14 15 15 14 14 15 15 12 12 12 13 13 13 15 15 15 12 12 12 13 13 13 14 14 14 16 16 28 28 11 11 13 13 28 28 11 11 12 12 29 29 12 12 36 36 1 1 1 16 16 16 9 9 37 37 38 38 19 19 23 23 19 19 22 22 5 5 21 21 6 6 21 21 7 7 23 23 8 8 22 22 24 24 24 25 25 9 9 9 9 9 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 16 16 16 16 18 18 18 18 18 18 19 19 19 19 19 19 21 21 21 21 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 26 17 17 19 19 19 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 13 13 13 13 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 23 23 23 23 25 25 25 25 24 24 24 24 26 26 26 26 26 26 26 26 27 27 27 27 27 10 13 21 37 38 16 28 16 28 17 29 17 29 30 31 32 30 31 32 30 31 32 33 34 35 33 34 35 33 34 35 17 29 17 29 18 36 18 36 18 36 9 10 9 10 9 10 1 20 1 20 2 3 4 2 3 4 22 23 22 23 22 23 5 25 5 25 6 24 6 24 8 26 8 26 7 26 7 26 25 27 25 27 24 27 24 27 39 40 41 39 40 0.0944 -179.515 178.039 57.457 -61.2858 2.38 151.0955 -141.3797 7.3357 -142.9051 3.2422 0.0263 146.1735 39.1713 -81.932 159.2692 -30.338 -151.4413 89.7598 -175.8181 63.0786 -55.7202 -33.2117 -154.0548 87.4337 36.7453 -84.0977 157.3907 -179.3272 59.8298 -58.6818 134.7208 -7.7136 -6.8693 -149.3037 142.439 -37.4466 -146.4369 33.6776 -5.8059 174.3085 131.7591 -47.8351 -158.4997 21.9061 -14.8872 165.5186 0.1172 -179.7931 -179.9952 0.0944 -179.976 60.0034 -60.0533 -0.0571 -120.0777 119.8656 91.3124 -87.2424 -149.5382 31.907 -27.9013 153.5438 1.1046 -179.1942 179.723 -0.5758 -1.1165 179.1681 -179.7388 0.5458 -0.0131 179.9293 -179.7162 0.2262 0.036 -179.8809 179.7528 -0.1641 179.8812 0.5489 -0.2024 -179.5346 -179.8859 -0.5534 0.1719 179.5044 89.8996 -150.8279 -29.4151 -89.3972 29.8752 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 Grimme-D3 -0.0427870352 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.6617,-2.4733,-.347;5.3808,1.3158,-.7693;5.387,-.2389,-2.2594;6.7509,-.3364,-.6032;-2.4747,-1.018,-2.2133;-3.9697,.4386,1.9946;-5.6553,2.1296,.8199;-4.1639,.6819,-3.3916;-1.0354,-.5267,.8638;.0004,-2.3952,1.5181;2.0788,-.3858,2.7212;2.5688,-.9042,1.3987;1.1766,-.3083,1.5123;2.5925,.9328,3.2506;1.8316,-1.3979,3.8136;3.5747,-.1996,.6049;.0178,-1.2105,1.3174;4.4983,-.7693,-.1603;-2.2179,-1.2814,.5974;5.5096,.0002,-.9533;-3.1817,-.3522,-.0706;-3.2524,-.2516,-1.4518;-4.0071,.482,.665;-4.8827,1.3606,.0525;-4.1268,.6267,-2.061;-4.9639,1.4547,-1.3277;-5.8969,2.4,-2.0199;2.5814,-1.9847,1.3157;1.0401,.6858,1.1016;2.689,1.7005,2.4835;3.5699,.8045,3.718;1.9105,1.3222,4.0077;1.5281,-2.3693,3.4335;1.0572,-1.0462,4.4974;2.7459,-1.5349,4.393;3.5673,.8825,.6371;-2.6312,-1.675,1.5271;-1.9908,-2.135,-.0416;-5.3413,3.1622,-2.5666;-6.5231,1.8743,-2.7397;-6.5501,2.906,-1.3154; 0.000000 3.879751 0.000000 3.029203 2.153487 0.000000 2.999449 2.152754 2.147765 0.000000 7.518567 8.321093 7.900323 9.389797 0.000000 9.405451 9.789823 10.300644 11.058018 4.697155 0.000000 11.357335 11.179654 11.705768 12.728736 5.405932 2.661012 0.000000 9.854744 9.918698 9.661749 11.311288 2.670466 5.395270 4.696542 0.000000 6.140989 6.872406 7.147351 7.925569 3.432397 3.289474 5.329351 5.418222 0.000000 5.021154 6.924767 6.923484 7.369356 4.684680 4.900938 7.276610 7.135513 2.234312 0.000000 4.521303 5.097300 5.981000 5.734298 6.744145 6.147529 8.352245 8.802214 3.628816 3.131251 0.000000 3.144690 4.187595 4.665444 4.671132 6.204523 6.701527 8.784996 8.413826 3.663202 2.972188 1.502664 0.000000 4.504428 5.051632 5.653172 5.962284 5.264579 5.222516 7.286858 7.317819 2.315443 2.395533 1.510446 1.518672 0.000000 5.368921 4.907266 6.288289 5.809895 7.702954 6.699499 8.681411 9.477921 4.581311 4.560222 1.510911 2.608625 2.562520 0.000000 5.145510 6.400331 7.132046 6.695836 7.417044 6.351114 8.801165 9.601456 4.204793 3.101190 1.509545 2.572797 2.629126 2.515541 0.000000 2.693930 2.728903 3.389751 3.400939 6.723624 7.697805 9.521814 8.754173 4.628944 4.293031 2.598279 1.462314 2.566337 3.040834 3.843197 0.000000 5.092196 6.284768 6.524246 7.056003 4.326083 4.367837 6.602119 6.575882 1.335065 1.201743 2.626539 2.570638 1.481477 3.867797 3.091364 3.765780 0.000000 1.721919 2.344631 2.340369 2.336157 7.273187 8.820986 10.604774 9.358496 5.632915 5.068700 3.782094 2.484264 3.747543 4.261899 4.826878 1.327873 4.738495 0.000000 7.045613 8.145766 8.190367 9.097977 2.834612 2.824834 4.847762 4.853195 1.427857 2.647484 4.875921 4.867947 3.647830 5.922989 5.172679 5.892741 2.349822 6.778171 0.000000 2.684137 1.334637 1.333450 1.332927 8.146957 9.936763 11.503671 9.999340 6.812975 6.495910 5.041967 3.872718 4.994941 5.201189 6.181102 2.492357 6.064789 1.497883 7.985046 0.000000 8.129809 8.751407 8.844550 9.946862 2.352464 2.347689 3.615452 3.614308 2.347377 4.101666 5.955558 5.960873 4.637071 6.783999 6.427623 6.791797 3.591625 7.691849 1.496169 8.743103 0.000000 8.293901 8.800863 8.677069 10.039573 1.331158 3.587288 4.074933 2.337830 3.217544 4.898539 6.771544 6.514400 5.329644 7.594571 7.408482 7.130351 4.391067 7.874599 2.515841 8.779771 1.386596 0.000000 9.214399 9.533368 9.865115 10.863327 3.589253 1.330864 2.335678 4.064600 3.144509 5.006606 6.482243 6.760358 5.311597 7.102281 6.894808 7.612588 4.414697 8.636471 2.513056 9.665307 1.385045 2.364006 0.000000 10.293373 10.296497 10.647551 11.774996 4.073067 2.335698 1.333147 3.583232 4.361419 6.332355 7.657365 7.903611 6.452256 8.141818 8.175431 8.617843 5.676707 9.622138 3.791863 10.529133 2.417077 2.742271 1.383385 0.000000 9.475527 9.619693 9.555158 11.017135 2.336175 4.063068 3.590939 1.332273 4.409303 6.243097 7.899699 7.690570 6.462923 8.570631 8.608938 8.191661 5.653892 8.941720 3.788400 9.720075 2.411077 1.381076 2.732501 2.361561 0.000000 10.442370 10.360760 10.529861 11.873082 3.618627 3.613716 2.354969 2.344581 4.915497 6.896732 8.329589 8.351056 6.991435 8.850572 8.986120 8.909545 6.238342 9.789950 4.328135 10.580673 2.832219 2.419972 2.415073 1.385816 1.387080 0.000000 11.748673 11.398535 11.590823 13.017740 4.840608 4.866021 2.862899 2.799441 6.365221 8.383923 9.687722 9.709451 8.357410 10.099536 10.401197 10.166558 7.691336 11.025568 5.825656 11.704907 4.329776 3.787820 3.802518 2.530633 2.505880 1.497764 0.000000 2.707594 4.803889 4.868380 4.876886 6.241165 7.017780 9.220432 8.646874 3.925653 2.621212 2.187259 1.083661 2.195948 3.500753 2.673182 2.162982 2.677928 2.707501 4.903403 4.202715 6.148143 6.685438 7.065084 8.276399 7.951192 8.703351 10.111032 0.000000 5.019362 4.768556 5.571991 6.046846 5.122986 5.094740 6.855122 6.875385 2.415469 3.278251 2.202407 2.225654 1.084236 2.662528 3.510482 2.730355 2.165060 3.958423 3.839086 4.966815 4.502784 5.081728 5.070112 6.052738 6.058266 6.522358 7.797714 3.090750 0.000000 5.415093 4.239689 5.791023 5.493240 7.490866 6.794751 8.519333 9.083885 4.631928 4.993454 2.186646 2.824151 2.695460 1.089514 3.479081 2.814928 4.119286 4.045171 6.043694 4.760126 6.723220 7.388973 7.044748 7.959632 8.261994 8.552946 9.720468 3.867215 2.378652 0.000000 5.334726 4.865875 6.334030 5.485682 8.662468 7.742673 9.760123 10.505897 5.579184 5.274314 2.152593 3.049773 3.439626 1.091014 2.807323 3.270987 4.737130 4.287193 6.898381 5.121570 7.827870 8.624703 8.175284 9.229947 9.626426 9.935215 11.184365 3.811452 3.641364 1.761479 0.000000 6.398252 5.904456 7.334818 6.887682 7.962855 6.277726 8.249608 9.594732 4.688405 4.864741 2.144961 3.492502 3.069858 1.090819 2.728181 4.082181 4.151481 5.333243 5.954246 6.269984 6.735506 7.677135 6.848168 7.860857 8.588503 8.703007 9.922182 4.316493 3.099678 1.752734 1.762257 0.000000 4.911438 6.788747 7.199961 6.906891 7.052319 6.338815 8.869808 9.396375 4.070650 2.450184 2.178246 2.714808 2.839426 3.474198 1.086381 4.110629 2.846436 4.929289 4.822862 6.380531 6.207264 7.155689 6.814186 8.151203 8.434731 8.912858 10.373896 2.396318 3.874244 4.337394 3.784505 3.755436 0.000000 6.204591 7.211851 8.065582 7.677108 7.583402 5.808396 8.286569 9.616785 4.225112 3.436966 2.152805 3.450707 3.077217 2.797819 1.091340 4.712322 3.349607 5.797623 5.098198 7.115420 6.270268 7.388909 6.532152 7.799457 8.525552 8.742979 10.134632 3.650597 3.812000 3.776539 3.216519 2.564619 1.761903 0.000000 5.197885 6.458966 7.273898 6.514431 8.435949 7.399071 9.837529 10.642399 5.269735 4.067319 2.135444 3.065152 3.502223 2.723583 1.091051 4.101150 4.124029 4.938595 6.253860 6.211071 7.513952 8.472777 7.973014 9.242286 9.672731 10.055156 11.458961 3.114319 4.321414 3.757211 2.570392 3.001561 1.760670 1.761158 0.000000 3.664324 2.335468 3.599792 3.627537 6.945682 7.671145 9.308397 8.720270 4.818984 4.923664 2.857971 2.183928 2.810637 2.789863 4.278252 1.082605 4.176438 2.056971 6.176801 2.660886 6.897448 7.222076 7.585040 8.483733 8.157518 8.773282 9.946568 3.106996 2.577094 2.202241 3.081896 3.781435 4.748985 4.992255 4.541511 0.000000 7.572027 8.855005 8.982862 9.713589 3.800877 2.545105 4.911296 5.665510 2.074873 2.728406 5.027168 5.258420 4.045690 6.087520 5.022153 6.445205 2.697589 7.382266 1.090962 8.673610 2.146054 3.359375 2.699814 4.056901 4.517687 4.835952 6.312854 5.226036 4.385545 6.372818 7.028629 5.980319 4.627806 4.777269 6.094822 6.764250 0.000000 6.668128 8.171838 7.933881 8.942502 2.489572 3.832156 5.688362 4.886655 2.078239 2.542757 5.220634 4.937584 3.972942 6.423128 5.478832 5.927826 2.595414 6.632378 1.090131 7.851550 2.144100 2.669622 3.378325 4.537677 4.033280 4.835155 6.303736 4.771806 4.295386 6.556481 7.327812 6.600741 4.951237 5.574810 6.516378 6.360765 1.755690 0.000000 11.693784 11.027382 11.258662 12.740320 5.080938 5.486741 3.554347 2.866867 6.626967 8.723724 9.777937 9.738029 8.435936 10.087355 10.627927 10.042656 7.932535 10.865754 6.285854 11.416765 4.821298 4.154605 4.405331 3.211863 2.856421 2.143125 1.090172 10.214259 7.765972 9.598201 11.156372 9.959703 10.667149 10.418766 11.657699 9.737767 6.892146 6.757294 0.000000 12.236262 12.078838 12.105650 13.625383 5.003190 5.567348 3.672765 2.722626 6.990370 8.883352 10.436648 10.368693 9.062520 10.948252 11.111048 10.837591 8.292101 11.623844 6.295188 12.308110 4.821455 4.108042 4.456574 3.278930 2.785545 2.144963 1.089338 10.687825 8.565650 10.591265 12.029784 10.814738 10.997247 10.879588 12.182505 10.686610 6.778651 6.625346 1.756548 0.000000 12.473086 12.048781 12.380418 13.708967 5.728221 4.868572 2.441910 3.866695 6.851595 8.890476 10.079124 10.248829 8.833424 10.408074 10.727707 10.763050 8.186185 11.700807 6.321476 12.410088 4.848870 4.567726 4.032953 2.653247 3.409289 2.149977 1.085828 10.687592 8.269328 10.062051 11.496328 10.120540 10.753542 10.357530 11.778083 10.500881 6.665077 6.915244 1.758490 1.758947 0.000000 C17H14ClF7O2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-4.7942,-.5982,-1.6494;-4.8354,-1.683,2.0754;-4.9708,-2.9043,.3069;-6.4698,-1.4171,.6997;2.6188,-1.8533,-1.6187;3.9659,2.218,.2979;6.0039,.9917,1.4913;4.662,-3.0841,-.4179;1.0209,.9282,-.3976;-.3632,1.7445,-1.9501;-2.1753,2.3788,.5235;-2.6286,1.1063,-.1349;-1.1718,1.2818,.2569;-2.5068,2.6354,1.9751;-2.1947,3.6361,-.3116;-3.4312,.1046,.5655;-.1663,1.3612,-.8282;-4.367,-.6617,.0175;2.0802,.9171,-1.3548;-5.1643,-1.6734,.782;3.2389,.2255,-.7086;3.4442,-1.1377,-.8581;4.1247,.9105,.1066;5.1835,.2713,.7262;4.5016,-1.7739,-.2378;5.398,-1.0888,.569;6.5311,-1.8103,1.2315;-2.813,1.1916,-1.1993;-.8373,.7394,1.1341;-2.408,1.7523,2.6055;-3.5286,3.0041,2.0764;-1.8376,3.3945,2.3823;-2.025,3.4484,-1.3681;-1.4346,4.3396,.0324;-3.1656,4.1232,-.209;-3.2472,-.0314,1.6237;2.3407,1.9373,-1.6405;1.7707,.3973,-2.2617;6.159,-2.5278,1.963;7.1212,-2.3644,.5025;7.1959,-1.1241,1.7475; 0.2758760 0.0654227 0.0594159 -101.57387 -24.72875 -24.72527 -24.72517 -24.72326 -24.72312 -24.72153 -24.72138 -19.19083 -19.12624 -10.44323 -10.31928 -10.29579 -10.29561 -10.29283 -10.29158 -10.26089 -10.25988 -10.23087 -10.22712 -10.22297 -10.21926 -10.21325 -10.21280 -10.19833 -10.18431 -10.17365 -9.48901 -7.25371 -7.24367 -7.24334 -1.34179 -1.27773 -1.27702 -1.26293 -1.26247 -1.25079 -1.24572 -1.13937 -1.04695 -0.92633 -0.92044 -0.90723 -0.84268 -0.80242 -0.78983 -0.78615 -0.76370 -0.74313 -0.72009 -0.71385 -0.67649 -0.67282 -0.65769 -0.63921 -0.61784 -0.61423 -0.60609 -0.59375 -0.58963 -0.58791 -0.57662 -0.56736 -0.56065 -0.53831 -0.53286 -0.52968 -0.51483 -0.50667 -0.50077 -0.49575 -0.49173 -0.49073 -0.48621 -0.48600 -0.48249 -0.47187 -0.46088 -0.45737 -0.45425 -0.45350 -0.44550 -0.44460 -0.43974 -0.43367 -0.42684 -0.42540 -0.42457 -0.41924 -0.41427 -0.40662 -0.40324 -0.40009 -0.39425 -0.39125 -0.38535 -0.37273 -0.36967 -0.34152 -0.33610 -0.33082 -0.31341 -0.30312 -0.28260 -0.26954 -0.26894 -0.05419 -0.04719 -0.02731 -0.02689 -0.01111 -0.00702 0.00564 0.00729 0.01260 0.01541 0.02183 0.02449 0.03066 0.03313 0.03867 0.04024 0.04457 0.04574 0.04913 0.05407 0.05571 0.06174 0.06451 0.06729 0.06910 0.07275 0.07560 0.07660 0.08124 0.08523 0.08747 0.08878 0.09423 0.09979 0.10147 0.10491 0.10851 0.11335 0.11504 0.11545 0.12027 0.12415 0.12612 0.12909 0.13269 0.13512 0.13776 0.13849 0.13948 0.14462 0.14696 0.14815 0.14963 0.15478 0.15764 0.15956 0.16155 0.16774 0.16960 0.17065 0.17368 0.17617 0.17921 0.18169 0.18450 0.18654 0.18721 0.19335 0.19711 0.19747 0.19853 0.20609 0.20793 0.21120 0.21369 0.21516 0.21703 0.21930 0.22386 0.22608 0.22844 0.23223 0.23332 0.23655 0.23902 0.24261 0.24392 0.24687 0.25121 0.25383 0.25461 0.25775 0.26464 0.26887 0.27158 0.27473 0.27905 0.28323 0.28455 0.29035 0.29227 0.29493 0.29992 0.30741 0.30840 0.31202 0.31355 0.31603 0.32037 0.32528 0.32768 0.32978 0.33559 0.33764 0.34026 0.34483 0.34939 0.35042 0.35609 0.35764 0.36068 0.36221 0.36470 0.36533 0.36850 0.37009 0.37301 0.37694 0.38087 0.38488 0.38728 0.38981 0.39358 0.39712 0.40387 0.40706 0.40958 0.41369 0.42127 0.42222 0.42883 0.43259 0.43582 0.43695 0.44428 0.44666 0.45623 0.46190 0.46909 0.48067 0.48482 0.48686 0.49620 0.50136 0.50733 0.52042 0.52504 0.53248 0.53337 0.53778 0.54125 0.54527 0.55340 0.55771 0.56066 0.56234 0.56945 0.57356 0.57732 0.58277 0.58649 0.59111 0.60317 0.60372 0.60829 0.61581 0.62243 0.62871 0.63009 0.63977 0.64501 0.64782 0.65874 0.65991 0.66498 0.66703 0.66860 0.67338 0.67762 0.68555 0.68794 0.69539 0.69778 0.70451 0.70828 0.71660 0.72154 0.72497 0.73159 0.73625 0.74182 0.74886 0.75066 0.75308 0.75982 0.76366 0.77317 0.78272 0.78856 0.79407 0.80515 0.81700 0.82160 0.82978 0.84612 0.85351 0.86434 0.87422 0.88858 0.89261 0.89691 0.90919 0.91392 0.92072 0.93016 0.93953 0.94532 0.94895 0.95925 0.96314 0.96563 0.97455 0.98101 0.99414 0.99975 1.00756 1.03347 1.03704 1.05530 1.06046 1.06995 1.07777 1.08800 1.09018 1.11229 1.12158 1.12985 1.14064 1.15383 1.15550 1.16457 1.17789 1.18651 1.20919 1.21896 1.22966 1.24026 1.26295 1.27728 1.29030 1.31027 1.32441 1.32823 1.33301 1.34089 1.35432 1.37243 1.38157 1.38453 1.39221 1.39646 1.40465 1.40708 1.40810 1.40951 1.41315 1.41860 1.42441 1.42885 1.43240 1.43657 1.43941 1.44383 1.45473 1.45631 1.46389 1.46570 1.47443 1.47701 1.48228 1.48584 1.48863 1.49624 1.50321 1.51401 1.52019 1.52468 1.53099 1.53697 1.54441 1.55038 1.55178 1.56243 1.56632 1.57471 1.58094 1.58586 1.60829 1.61390 1.62168 1.62861 1.63440 1.64107 1.64702 1.64978 1.65464 1.66044 1.66734 1.68038 1.68292 1.69227 1.69537 1.70649 1.71187 1.71933 1.72975 1.73536 1.74428 1.75328 1.77120 1.77914 1.78673 1.79024 1.80784 1.81592 1.82241 1.83127 1.83423 1.84922 1.85333 1.86138 1.87109 1.88547 1.89627 1.90486 1.91279 1.93002 1.94002 1.94795 1.95185 1.96211 1.97339 1.98600 1.99963 2.00410 2.01727 2.03019 2.03769 2.05866 2.06714 2.07637 2.08083 2.08975 2.09463 2.10905 2.12699 2.13593 2.14677 2.16764 2.17250 2.18481 2.19208 2.20919 2.21824 2.23739 2.24060 2.24648 2.24933 2.28453 2.29956 2.31422 2.32349 2.32745 2.35907 2.38161 2.38981 2.39806 2.41112 2.42484 2.43716 2.44708 2.46962 2.48280 2.48628 2.49878 2.50543 2.51438 2.52503 2.53952 2.54299 2.55078 2.55813 2.56159 2.60048 2.61193 2.61821 2.63043 2.64685 2.65226 2.65835 2.67403 2.68525 2.70390 2.71382 2.72407 2.74018 2.74412 2.75491 2.77072 2.78361 2.80170 2.81940 2.83414 2.84966 2.86930 2.87013 2.87576 2.90399 2.91690 2.92605 2.93045 2.93232 2.94006 2.97355 2.98527 3.00650 3.02891 3.04619 3.06068 3.07891 3.08674 3.08946 3.09999 3.11266 3.11746 3.13687 3.14792 3.18054 3.19320 3.20866 3.22060 3.22800 3.24063 3.26789 3.27455 3.35870 3.38202 3.41462 3.44427 3.45015 3.52505 3.58451 3.60127 3.65094 3.65755 3.67606 3.69757 3.71446 3.73371 3.73880 3.74942 3.75418 3.75670 3.75925 3.76402 3.76773 3.76836 3.77911 3.78004 3.78517 3.78921 3.79304 3.79588 3.81160 3.82314 3.82700 3.83562 3.83898 3.89457 3.91002 3.92028 3.93857 3.94124 3.94836 3.98777 3.99095 3.99548 4.01169 4.01268 4.05104 4.08564 4.13260 4.14180 4.16772 4.19380 4.19650 4.20182 4.22653 4.25478 4.31343 4.38579 4.54305 4.56982 4.70637 4.78156 4.80566 4.90095 4.92578 4.93344 4.94118 4.96753 5.05968 5.09678 5.27364 5.39932 5.67755 5.90120 6.28563 6.29767 6.29950 6.32300 6.33089 6.35299 6.35919 6.36882 6.38653 6.38788 6.40321 6.41859 6.46407 6.50224 6.52942 6.61483 6.73683 6.75648 6.78148 6.82726 6.85816 9.81197 23.42074 23.49041 23.62413 23.80835 23.81041 23.86156 23.87629 23.88470 23.89943 23.95514 23.96179 23.98550 24.00419 24.00794 24.05055 24.13242 24.21257 25.87155 26.18422 26.64532 49.91033 50.03007 66.73733 66.75261 66.76486 66.76794 66.79947 66.81128 66.84951 215.81199 1-A. 3.3138 1.7066 2.0359 4.2472 -163.5057 -166.1153 -161.4476 -17.3100 -1.5196 -0.3739 0.1838 -2.4257 2.2419 -17.3100 -1.5196 -0.3739 197.9137 -11.2067 11.8142 -15.5227 -17.6545 -1.2084 2.4705 -20.2721 15.4215 -35.9334 -15971.4158 -3131.6417 -1336.4513 -452.4854 97.2626 145.5620 -4.9578 -17.6198 21.7191 -3271.1865 -2842.0201 -750.7027 -100.6862 6.3101 38.5967 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.9902,-2.7049,.1427;5.6898,1.0703,-.709;5.9714,-.6863,-1.9595;7.0954,-.4783,-.1138;-2.5915,-.8016,-2.4339;-3.8975,.1949,1.9977;-5.7516,1.905,1.0667;-4.4462,.9067,-3.3643;-.949,-.5129,.5638;.057,-2.3772,1.3393;2.0359,-.264,2.5954;2.6523,-.9231,1.3742;1.2583,-.2926,1.2843;2.5291,1.0974,3.0531;1.6365,-1.1742,3.742;3.7593,-.3203,.6261;.0988,-1.1969,1.0823;4.7843,-.9705,.0726;-2.1492,-1.2962,.3326;5.8863,-.2672,-.6786;-3.1937,-.3585,-.1905;-3.3646,-.141,-1.5546;-4.0206,.3598,.6687;-4.9773,1.2418,.1864;-4.3232,.7416,-2.0335;-5.1575,1.4563,-1.1778;-6.1877,2.4201,-1.6991;2.6311,-2.0061,1.3957;1.1741,.6556,.7678;2.7467,1.7745,2.2254;3.439,.9895,3.6509;1.7695,1.5747,3.6785;1.2967,-2.1494,3.3966;.8313,-.7171,4.3257;2.4929,-1.3192,4.4069;3.7603,.7563,.5037;-2.462,-1.7539,1.2708;-1.9273,-2.0846,-.3863;-5.7566,3.4205,-1.8024;-6.5446,2.1082,-2.6804;-7.0317,2.4897,-1.0131; 0.000000 3.932859 0.000000 3.075170 2.174483 0.000000 3.074920 2.174404 2.170907 0.000000 8.230673 8.663692 8.576799 9.966051 0.000000 9.531070 10.000462 10.669116 11.214005 4.726273 0.000000 11.725738 11.608487 12.381490 13.119408 5.437439 2.688749 0.000000 10.695275 10.479323 10.631890 12.070256 2.687720 5.436866 4.725928 0.000000 6.344854 6.942724 7.368124 8.072956 3.430321 3.354154 5.400386 5.447535 0.000000 5.086835 6.914469 6.980039 7.433412 4.871762 4.763111 7.221653 7.292945 2.255913 0.000000 4.549957 5.104012 6.034323 5.743172 6.855293 5.980996 8.227210 8.882896 3.619253 3.155854 0.000000 3.187081 4.188122 4.710170 4.706699 6.481740 6.673657 8.872338 8.728661 3.714069 2.975054 1.518471 0.000000 4.588032 5.046693 5.734978 6.005016 5.376342 5.227685 7.349565 7.455826 2.332404 2.406666 1.524580 1.532571 0.000000 5.383830 4.913708 6.336910 5.776078 7.741658 6.574866 8.553853 9.480182 4.570236 4.595810 1.518627 2.629939 2.583692 0.000000 5.152299 6.424916 7.178892 6.719468 7.493760 5.961664 8.439392 9.582759 4.150093 3.116914 1.517496 2.588758 2.638322 2.536082 0.000000 2.726791 2.728245 3.422317 3.420783 7.065931 7.795685 9.777715 9.206441 4.712676 4.294938 2.617534 1.465794 2.586285 3.068174 3.865837 0.000000 5.204161 6.293559 6.633279 7.134353 4.444910 4.329561 6.621888 6.697325 1.354457 1.208717 2.629090 2.584647 1.484308 3.879992 3.072345 3.791548 0.000000 1.748070 2.365520 2.370484 2.370213 7.791877 8.968676 10.966417 10.026865 5.772503 5.092225 3.797012 2.498376 3.789497 4.271457 4.838908 1.334046 4.798415 0.000000 7.279568 8.254456 8.459877 9.291402 2.844893 2.837718 4.874859 4.878107 1.451706 2.655092 4.868353 4.927301 3.677560 5.917542 5.096161 5.995743 2.371799 6.946025 0.000000 2.724023 1.352169 1.350349 1.351032 8.674114 10.153768 11.966893 10.740203 6.951716 6.519612 5.054209 3.886309 5.027144 5.201795 6.198880 2.495866 6.120531 1.507790 8.164033 0.000000 8.520198 9.012652 9.340018 10.290053 2.364702 2.364270 3.639608 3.639055 2.373054 4.121013 5.926099 6.078027 4.690413 6.737275 6.281783 7.000893 3.628139 8.005777 1.497966 9.093623 0.000000 8.902683 9.174165 9.360674 10.564110 1.344330 3.607723 4.093274 2.354298 3.234327 5.008259 6.811945 6.737360 5.427127 7.582869 7.357474 7.452337 4.479174 8.351076 2.524475 9.293186 1.391855 0.000000 9.532233 9.833333 10.384611 11.174885 3.607869 1.344914 2.354291 4.092096 3.194815 4.956577 6.386059 6.831552 5.354538 7.009087 6.618214 7.809625 4.423044 8.924700 2.521375 10.017715 1.392023 2.371464 0.000000 10.720552 10.706029 11.322368 12.198276 4.090636 2.354348 1.346949 3.605845 4.410029 6.306407 7.566722 8.019220 6.514797 8.036449 7.888061 8.886024 5.702315 10.009787 3.802760 11.001991 2.425721 2.746622 1.387741 0.000000 10.166292 10.105555 10.393363 11.642837 2.353794 4.090344 3.606239 1.346670 4.438973 6.347335 7.929379 7.939768 6.574962 8.541256 8.517288 8.574777 5.746246 9.503290 3.804859 10.348286 2.425395 1.388227 2.745717 2.367713 0.000000 11.047020 10.864342 11.360206 12.450216 3.641455 3.641874 2.364750 2.364065 4.962116 6.944309 8.303116 8.553784 7.091103 8.781425 8.791086 9.269301 6.306855 10.309832 4.348303 11.188672 2.850431 2.430620 2.429939 1.392726 1.392525 0.000000 12.434029 11.994955 12.552361 13.687749 4.883856 4.885022 2.846899 2.845416 6.416177 8.440560 9.657889 9.938194 8.467759 10.015770 10.185438 10.576366 7.767819 11.619828 5.852209 12.411528 4.354381 3.814473 3.814149 2.531537 2.530977 1.503967 0.000000 2.761155 4.821790 4.914900 4.954004 6.587220 6.915818 9.256055 9.012732 3.967199 2.601309 2.197342 1.083335 2.198393 3.519797 2.680798 2.169527 2.676843 2.731165 4.948259 4.233554 6.257683 6.937625 7.097187 8.360519 8.226186 8.903554 10.341175 0.000000 5.123166 4.769120 5.679094 6.092948 5.153036 5.238905 7.043889 6.980325 2.432065 3.282205 2.220043 2.246137 1.083041 2.693293 3.522559 2.766875 2.164982 4.020047 3.878621 5.014823 4.585269 5.160230 5.204033 6.206574 6.170448 6.672041 7.962140 3.098637 0.000000 5.425605 4.215357 5.828174 5.427582 7.539323 6.833119 8.577923 9.150706 4.653135 5.025602 2.190377 2.830371 2.715467 1.091255 3.496815 2.823420 4.140951 4.040003 6.081293 4.739144 6.758293 7.436760 7.086616 8.006310 8.317910 8.611594 9.779676 3.872301 2.418602 0.000000 5.325683 4.907306 6.379430 5.449459 8.752093 7.562269 9.590826 10.554430 5.571552 5.302481 2.157346 3.075817 3.464067 1.094047 2.817641 3.311752 4.747121 4.295981 6.889411 5.129640 7.782420 8.640830 8.058225 9.104956 9.624164 9.870892 11.105977 3.835647 3.681516 1.768476 0.000000 6.417983 5.905431 7.386105 6.852857 7.875654 6.069844 7.968561 9.417119 4.631390 4.901233 2.150557 3.511181 3.078973 1.093594 2.752833 4.107028 4.148886 5.345039 5.898612 6.270994 6.583275 7.529119 6.637734 7.604247 8.392921 8.460580 9.641088 4.333056 3.109919 1.762468 1.769311 0.000000 4.953656 6.820723 7.258141 6.981395 7.136447 5.867854 8.458468 9.382447 3.968116 2.412709 2.177847 2.726071 2.812659 3.489790 1.088940 4.133482 2.774572 4.960052 4.689396 6.419874 6.019812 7.090511 6.481571 7.821021 8.332244 8.693873 10.142135 2.409321 3.846292 4.344112 3.808798 3.764539 0.000000 6.224687 7.221459 8.119457 7.681516 7.577259 5.349027 7.799450 9.467061 4.166928 3.503500 2.156510 3.474241 3.100478 2.791898 1.094562 4.734803 3.359587 5.812052 5.016393 7.127395 6.060139 7.246747 6.170412 7.396660 8.314782 8.418940 9.767639 3.672361 3.828992 3.779979 3.188759 2.559547 1.769616 0.000000 5.132312 6.488674 7.282240 6.505882 8.539090 6.995277 9.461811 10.653567 5.221768 4.057540 2.145698 3.062666 3.511277 2.770240 1.093912 4.110511 4.098812 4.915113 6.176622 6.203595 7.375446 8.440296 7.695406 8.954100 9.601306 9.870292 11.252553 3.091701 4.345436 3.794008 2.607061 3.070580 1.772305 1.769272 0.000000 3.691014 2.300549 3.610715 3.609507 7.169473 7.822288 9.597530 9.073589 4.877725 4.922557 2.896507 2.192260 2.822987 2.851576 4.327158 1.083572 4.190029 2.053364 6.258133 2.639234 7.076908 7.470317 7.792661 8.756794 8.472264 9.101894 10.323914 3.114710 2.601539 2.242426 3.172123 3.835670 4.783436 5.035679 4.598820 0.000000 7.596895 8.851459 9.093759 9.741008 3.827315 2.527208 4.924532 5.700904 2.080604 2.595889 4.919879 5.182328 3.997060 6.018099 4.820840 6.416797 2.627432 7.386359 1.089781 8.700879 2.148938 3.376226 2.694337 4.059168 4.539807 4.854612 6.334328 5.100848 4.390935 6.363282 6.929131 5.897616 4.336255 4.610122 5.880110 6.753247 0.000000 6.965443 8.250964 8.174329 9.168586 2.505888 3.842008 5.714274 4.915337 2.080817 2.645960 5.283187 5.041916 4.018784 6.466387 5.529277 6.039465 2.655164 6.818928 1.089712 8.027557 2.149725 2.684739 3.386652 4.549154 4.054642 4.857803 6.337672 4.894983 4.296449 6.600000 7.385558 6.601459 4.970822 5.628815 6.565063 6.419618 1.772378 0.000000 12.521927 11.736239 12.427219 13.536044 5.314402 5.319974 3.244731 3.236697 6.647069 8.791030 9.676706 9.983314 8.516076 9.880517 10.320344 10.509186 7.995455 11.571799 6.310232 12.264559 4.842279 4.297398 4.299766 3.051161 3.047109 2.146422 1.094300 10.489437 7.892080 9.551835 10.963869 9.491513 10.382782 9.903201 11.361126 10.148215 6.861030 6.853777 0.000000 12.813618 12.435654 12.844426 14.118297 4.914739 5.705561 3.835463 2.512905 6.978958 8.936369 10.348260 10.498155 9.075713 10.780861 10.906532 11.090582 8.319636 12.058260 6.323584 12.813203 4.849012 4.054488 4.543586 3.380226 2.687188 2.146336 1.089812 10.850575 8.577812 10.512213 11.874741 10.480694 10.795523 10.558038 11.985621 10.869997 6.869921 6.645381 1.764739 0.000000 13.147117 12.804062 13.418726 14.463436 5.706703 4.914766 2.511155 3.836523 6.964279 8.914638 10.140264 10.541606 9.041203 10.482399 10.543852 11.270675 8.296108 12.359974 6.323200 13.213149 4.849649 4.545477 4.053626 2.686395 3.381302 2.146517 1.089777 10.926264 8.594798 10.325477 11.560209 10.015436 10.503753 10.030596 11.601862 11.035006 6.641297 6.882672 1.764995 1.778406 0.000000 C17H14ClF7O2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.1375,-.2838,-1.6621;-5.0831,-1.6445,2.0274;-5.5475,-2.7061,.1874;-6.7874,-1.0402,.82;2.8695,-2.1673,-1.3701;3.904,2.2395,-.011;6.1081,1.3371,1.2369;5.0736,-3.0688,-.124;1.0264,.5655,-.4202;-.3586,1.4307,-1.9765;-2.0478,2.1942,.5775;-2.6514,.9948,-.1316;-1.1666,.9944,.248;-2.3367,2.4299,2.0496;-1.9238,3.4775,-.2228;-3.5603,.0583,.5358;-.169,1.0349,-.8503;-4.626,-.5309,-.0089;2.0878,.5678,-1.4107;-5.5122,-1.4816,.7556;3.3247,.0638,-.7326;3.6593,-1.2872,-.7308;4.1793,.9236,-.0482;5.3166,.4562,.595;4.7983,-1.7512,-.0868;5.6599,-.8935,.5924;6.8872,-1.4004,1.2985;-2.8219,1.1445,-1.1909;-.8696,.3843,1.0921;-2.3533,1.5095,2.6356;-3.3039,2.9266,2.1712;-1.568,3.0794,2.4778;-1.7285,3.2897,-1.2774;-1.1101,4.0935,.1727;-2.8515,4.0509,-.1371;-3.3616,-.1879,1.5722;2.2256,1.5828,-1.7826;1.8007,-.0753,-2.2422;6.6492,-1.6688,2.3324;7.2754,-2.2907,.8042;7.6616,-.634,1.3227; 0.3026305 0.0600673 0.0556337 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 680 680 680 680 680 MxSgAt= 41 MxSgA2= 41. NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 686 RedAO= T EigKep= 1.27D-06 NBF= 686 NBsUse= 685 1.00D-06 EigRej= 9.37D-07 NBFU= 685 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 680 680 680 680 680 MxSgAt= 41 MxSgA2= 41. 1 1.30376883e+00 6.71416346e-01 8.00976413e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 17 9 9 9 9 9 9 9 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.000986331 -0.014290345 -0.001383917 -0.001359684 0.015175074 0.001715033 -0.000717601 -0.001474806 -0.016364221 0.016665904 -0.002460873 0.003537248 0.006939826 -0.006729241 -0.006210716 0.000507768 -0.000771129 0.012355222 -0.006889951 0.006790403 0.006271540 -0.000505234 0.000564282 -0.012224711 -0.002432799 0.012424967 -0.002950302 -0.000021478 -0.013691842 0.002791969 0.000783028 0.001132628 0.006549063 0.007501833 -0.005021291 -0.004199112 -0.007237035 0.004753205 -0.003561111 0.001041419 0.004334514 0.001078398 -0.000527592 -0.003505360 0.002647724 -0.002942919 0.004023420 0.001927308 0.010200223 0.003369714 0.002285520 -0.001618706 0.003495857 0.001347173 -0.010461066 -0.007799879 -0.001937744 -0.008217575 -0.004739526 0.006579499 0.002112713 -0.002458077 0.001677472 -0.003310894 0.002502763 0.003295637 -0.000446690 -0.000386163 -0.005167796 0.003322102 -0.003023009 -0.003526632 0.000092672 -0.000071889 0.005684818 -0.002656114 0.002573614 -0.002044279 -0.003225791 0.002835888 -0.000701914 -0.001292104 0.000363146 0.000063371 -0.000929122 -0.000990382 -0.000185785 0.000079994 0.000596877 -0.001287333 0.001843677 -0.000641882 0.000911312 -0.001425799 0.000256410 0.001497507 -0.001331115 -0.000910699 -0.001918607 -0.001588309 0.001084030 0.001110156 0.001936725 0.000097634 0.001099774 0.001126776 0.000621025 -0.000759720 0.000873198 0.001544962 0.001487266 0.002062191 0.000865914 -0.000863646 0.001575457 0.000855826 -0.001556951 -0.000108235 -0.001598673 -0.001871226 -0.000406025 0.000302914 0.002802711 0.016665904 0.004873392 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1966.25081493935 -1966.25082052890 -0.000005589553 -1966.25082051326 0.000000015641 -1966.25082059559 -0.000000082328 -1966.25082059649 -0.000000000899 -1966.25082059674 -0.000000000250 -1966.25082059694 -0.000000000198 -1966.25082059698 -0.000000000040 -1966.25082059676 0.000000000212 -1966.25082060 9 1.960017879371e+03 -9.933118411601e+03 3.359551550059e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245691381 LenY= 4245182299 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT242995.100S 2023-05-13T03:06:46.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 Cl F F F F F F F O O C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H 0.415971 -0.153635 -0.063118 -0.067620 -0.181708 -0.182953 -0.202053 -0.190298 0.081786 -0.248583 0.205116 0.148601 -0.180383 -0.500329 -0.520030 -0.255147 -0.328376 -0.524609 0.100625 0.482486 0.659389 -0.488828 -0.239115 -0.731015 -0.247856 1.116180 -0.191268 0.187122 0.166183 0.127365 0.155240 0.157076 0.171571 0.146906 0.147427 0.143845 0.186894 0.186599 0.177826 0.169891 0.162824 -0.00000 -101.57566 -24.72847 -24.72588 -24.72527 -24.72353 -24.72314 -24.72121 -24.72115 -19.19002 -19.12969 -10.44758 -10.32249 -10.30079 -10.30078 -10.29722 -10.29707 -10.26606 -10.26298 -10.23639 -10.23267 -10.22795 -10.22400 -10.21697 -10.21657 -10.20170 -10.18720 -10.17673 -9.49007 -7.25494 -7.24472 -7.24444 -1.33116 -1.27249 -1.27176 -1.25841 -1.25784 -1.24467 -1.23949 -1.12954 -1.04301 -0.92156 -0.92017 -0.90166 -0.84255 -0.80376 -0.79099 -0.78382 -0.76293 -0.74253 -0.71867 -0.71381 -0.67631 -0.67234 -0.65513 -0.63673 -0.61243 -0.60840 -0.60339 -0.59130 -0.58658 -0.58512 -0.57428 -0.56607 -0.55864 -0.53611 -0.53100 -0.52844 -0.51175 -0.50458 -0.49728 -0.49461 -0.48964 -0.48712 -0.48395 -0.48377 -0.48075 -0.47040 -0.46015 -0.45757 -0.45421 -0.45069 -0.44497 -0.44452 -0.44110 -0.43408 -0.42655 -0.42590 -0.42443 -0.41972 -0.41599 -0.40787 -0.40602 -0.40177 -0.39562 -0.39044 -0.38774 -0.37394 -0.37111 -0.34178 -0.33735 -0.33108 -0.31470 -0.30421 -0.28486 -0.27313 -0.27125 -0.05872 -0.05139 -0.03267 -0.02959 -0.01658 -0.01101 0.00065 0.00639 0.01050 0.01491 0.02041 0.02371 0.02947 0.03267 0.03722 0.03924 0.04168 0.04581 0.04830 0.05280 0.05387 0.06100 0.06279 0.06552 0.06842 0.07073 0.07304 0.07550 0.07937 0.08338 0.08452 0.08782 0.09422 0.09789 0.09977 0.10436 0.10644 0.10952 0.11102 0.11366 0.11718 0.12279 0.12433 0.12890 0.12994 0.13213 0.13425 0.13519 0.13750 0.14319 0.14496 0.14574 0.14674 0.15265 0.15314 0.15765 0.15808 0.16174 0.16407 0.16778 0.16954 0.17436 0.17549 0.17923 0.18068 0.18215 0.18619 0.18861 0.19185 0.19361 0.19489 0.20216 0.20326 0.20646 0.20911 0.21102 0.21446 0.21622 0.22122 0.22422 0.22584 0.23010 0.23160 0.23424 0.23595 0.23888 0.24321 0.24509 0.24723 0.25008 0.25234 0.25324 0.26157 0.26541 0.26948 0.27225 0.27557 0.27849 0.28191 0.28479 0.29058 0.29389 0.29463 0.29802 0.30278 0.30579 0.30946 0.31464 0.31862 0.32400 0.32469 0.32677 0.33089 0.33403 0.33645 0.33988 0.34295 0.34416 0.35100 0.35400 0.35587 0.35894 0.36214 0.36499 0.36772 0.36882 0.37052 0.37455 0.38080 0.38333 0.38585 0.38703 0.39047 0.39371 0.39919 0.40472 0.40777 0.41109 0.41743 0.42072 0.42127 0.42375 0.43252 0.43774 0.43994 0.44760 0.45771 0.46484 0.46893 0.47786 0.48548 0.48985 0.49550 0.50349 0.50494 0.50730 0.51525 0.52276 0.52834 0.53031 0.53763 0.54124 0.55039 0.55332 0.55713 0.55999 0.56291 0.56762 0.57338 0.57815 0.58286 0.58863 0.59664 0.60097 0.60935 0.61777 0.62248 0.62493 0.63474 0.63822 0.63990 0.64717 0.65045 0.65182 0.65915 0.66597 0.66641 0.66802 0.67133 0.68007 0.68347 0.69153 0.69440 0.70016 0.70431 0.71149 0.71685 0.72044 0.72299 0.73245 0.73944 0.74122 0.74715 0.75290 0.75412 0.76139 0.77334 0.77966 0.78862 0.78882 0.79968 0.80898 0.81660 0.82630 0.84369 0.85193 0.85847 0.86862 0.88421 0.88712 0.89821 0.90384 0.91026 0.91900 0.92076 0.93211 0.94222 0.94329 0.95084 0.95660 0.96765 0.97133 0.97903 0.98836 0.99690 1.00304 1.03508 1.04041 1.05530 1.06183 1.06896 1.07200 1.08003 1.08340 1.11326 1.11969 1.12202 1.13284 1.13625 1.14737 1.16115 1.16870 1.17541 1.20254 1.21866 1.23075 1.23893 1.25827 1.27301 1.29544 1.31123 1.32810 1.32884 1.33742 1.34118 1.35269 1.36247 1.37645 1.38214 1.38791 1.39328 1.40275 1.40459 1.40770 1.40909 1.41015 1.41583 1.41929 1.42443 1.43033 1.43614 1.43821 1.44426 1.45182 1.45439 1.45839 1.46638 1.47314 1.47668 1.48049 1.48177 1.49100 1.49436 1.50369 1.50796 1.51340 1.52115 1.52626 1.53296 1.54146 1.54604 1.55138 1.55551 1.55981 1.56862 1.57855 1.58067 1.59607 1.60770 1.61097 1.61766 1.62364 1.63135 1.63489 1.64175 1.65636 1.65953 1.66954 1.67097 1.67596 1.68534 1.68890 1.70038 1.70654 1.71009 1.72168 1.72491 1.73515 1.74674 1.76199 1.77201 1.77921 1.78255 1.79830 1.80905 1.81639 1.82248 1.82844 1.84124 1.84236 1.86095 1.86224 1.87807 1.88497 1.89710 1.90674 1.92897 1.93514 1.93670 1.94863 1.95965 1.96706 1.98054 2.00004 2.00584 2.01246 2.01862 2.02564 2.04835 2.05698 2.06957 2.07841 2.08017 2.08483 2.09899 2.11121 2.12071 2.13686 2.15478 2.15981 2.17445 2.18271 2.20182 2.20443 2.22809 2.23005 2.24017 2.25504 2.27952 2.29840 2.30627 2.31915 2.32891 2.34652 2.37200 2.37973 2.39226 2.40065 2.41714 2.42104 2.43481 2.45931 2.46983 2.47018 2.49193 2.50752 2.51446 2.53094 2.53398 2.54002 2.54023 2.54883 2.57465 2.58809 2.60237 2.60650 2.61376 2.64061 2.64304 2.64800 2.65878 2.67353 2.69534 2.70515 2.71142 2.72097 2.73876 2.74086 2.74871 2.77829 2.78736 2.80509 2.82777 2.84305 2.85027 2.86291 2.86593 2.88478 2.88846 2.89300 2.90763 2.92011 2.93122 2.96774 2.97509 2.98901 3.00393 3.02406 3.05011 3.06522 3.06737 3.06928 3.08617 3.09500 3.09883 3.11696 3.12773 3.16239 3.17315 3.18979 3.20001 3.20537 3.22275 3.24466 3.24979 3.33705 3.36777 3.39353 3.42609 3.43465 3.51338 3.55863 3.58390 3.62759 3.63244 3.66701 3.70117 3.70607 3.73630 3.74139 3.75112 3.75226 3.75427 3.75995 3.76084 3.76548 3.76692 3.76736 3.77554 3.78131 3.78584 3.79257 3.79716 3.80254 3.81421 3.82004 3.82755 3.82987 3.88349 3.89768 3.90497 3.91966 3.92956 3.93625 3.97025 3.97726 3.97997 3.99490 3.99790 4.03435 4.05838 4.10571 4.12752 4.14640 4.15885 4.17638 4.18023 4.19172 4.23578 4.29309 4.37441 4.52114 4.53803 4.68364 4.76901 4.79299 4.87869 4.90721 4.91614 4.91982 4.94808 5.05286 5.09295 5.26576 5.37899 5.64487 5.87893 6.28576 6.29302 6.29866 6.32212 6.33355 6.35465 6.35863 6.36515 6.37955 6.38680 6.40231 6.42037 6.45430 6.49845 6.52182 6.59890 6.71733 6.72275 6.74696 6.80466 6.83326 9.79955 23.40496 23.46253 23.60290 23.77798 23.78463 23.84601 23.85557 23.86515 23.88126 23.93794 23.94837 23.97333 23.97706 23.99298 24.02348 24.10170 24.18362 25.86162 26.16053 26.60671 49.90695 50.01610 66.73524 66.75124 66.76086 66.76487 66.79449 66.80778 66.84373 215.79747 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 Cl F F F F F F F O O C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H 0.419655 -0.154297 -0.071174 -0.072370 -0.184539 -0.184257 -0.198017 -0.196835 0.066429 -0.242781 0.187199 0.152085 -0.221243 -0.496799 -0.519781 -0.340236 -0.320973 -0.391819 0.185751 0.417306 0.673643 -0.518869 -0.270256 -0.545097 -0.503383 1.217107 -0.195189 0.191014 0.167041 0.128805 0.156013 0.158579 0.169990 0.147295 0.150488 0.147874 0.187429 0.189069 0.185452 0.165138 0.164553 -0.00000 1.52373611e+00 6.78763259e-01 8.24714063e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.8730 1.7252 2.0962 4.7297 -166.5294 -168.2039 -160.6338 -15.7938 -0.0249 0.2545 -1.4071 -3.0815 4.4886 -15.7938 -0.0249 0.2545 255.2379 -5.9805 12.5999 -29.9457 -9.5957 5.9038 7.4027 -17.9695 11.4209 -30.3736 -17543.2335 -2788.1076 -1299.5165 -452.2670 204.4798 148.2172 -5.7326 -16.5622 11.6747 -3557.7490 -3068.2047 -681.3310 -94.2448 -7.4544 26.7964 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1966.2508206 3.284E-9 3.827E-6 -3.6200912,3.5552535,0.0648376,-0.4351819,11.4901854,-1.2529537 C01 [X(C17H14Cl1F7O2)] -1.4390957 0.9934766 0.6361229 0.000001273 -0.000002433 -0.000000621 -0.000006402 -0.000001509 0.000003142 -0.000003482 -0.000004428 -0.000001238 0.000000379 -0.000003869 0.000003764 -0.000001704 0.000000625 0.000000853 0.000000358 -0.000000211 -0.000002120 -0.000000217 0.000000363 -0.000002448 0.000002396 -0.000002658 0.000002156 -0.000002340 0.000007788 -0.000004375 -0.000000474 0.000003545 0.000001046 0.000003776 -0.000001062 -0.000004117 0.000005198 0.000001162 0.000001575 -0.000011592 0.000002423 0.000002509 -0.000001788 -0.000000100 0.000000358 0.000002248 0.000000658 0.000000289 0.000001808 -0.000001441 -0.000001840 0.000009068 -0.000009497 0.000002054 -0.000000521 0.000001965 -0.000000646 -0.000005899 -0.000001574 -0.000000264 0.000006399 0.000009265 -0.000006273 0.000000751 -0.000002135 -0.000005334 0.000005774 -0.000005323 0.000004966 -0.000003248 0.000003302 0.000006497 0.000000397 -0.000002997 0.000008477 -0.000009596 0.000005756 -0.000001686 0.000006774 -0.000000527 -0.000014176 0.000010247 0.000007337 0.000002601 -0.000000861 0.000000286 0.000000375 0.000001905 0.000000412 0.000000956 0.000002145 0.000000263 -0.000000678 -0.000000143 0.000000577 0.000000732 -0.000000904 0.000000836 -0.000001291 -0.000000132 0.000000087 0.000000363 0.000000383 0.000000575 0.000000035 0.000000836 -0.000000092 0.000000176 0.000000245 0.000001595 -0.000000829 0.000000486 -0.000000634 0.000000317 0.000000538 0.000000026 0.000000283 -0.000002443 -0.000003887 0.000002561 -0.000006196 -0.000002791 0.000001234 -0.000005442 -0.000001676 0.000000618 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.9902,-2.7049,.1427;5.6898,1.0703,-.709;5.9714,-.6863,-1.9595;7.0954,-.4783,-.1138;-2.5915,-.8016,-2.4339;-3.8975,.1949,1.9977;-5.7516,1.905,1.0667;-4.4462,.9067,-3.3643;-.949,-.5129,.5638;.057,-2.3772,1.3393;2.0359,-.264,2.5954;2.6523,-.9231,1.3742;1.2583,-.2926,1.2843;2.5291,1.0974,3.0531;1.6365,-1.1742,3.742;3.7593,-.3203,.6261;.0988,-1.1969,1.0823;4.7843,-.9705,.0726;-2.1492,-1.2962,.3326;5.8863,-.2672,-.6786;-3.1937,-.3585,-.1905;-3.3646,-.141,-1.5546;-4.0206,.3598,.6687;-4.9773,1.2418,.1864;-4.3232,.7416,-2.0335;-5.1575,1.4563,-1.1778;-6.1877,2.4201,-1.6991;2.6311,-2.0061,1.3957;1.1741,.6556,.7678;2.7467,1.7745,2.2254;3.439,.9895,3.6509;1.7695,1.5747,3.6785;1.2967,-2.1494,3.3966;.8313,-.7171,4.3257;2.4929,-1.3192,4.4069;3.7603,.7563,.5037;-2.462,-1.7539,1.2708;-1.9273,-2.0845,-.3863;-5.7566,3.4205,-1.8024;-6.5446,2.1082,-2.6804;-7.0317,2.4897,-1.0131; Gaussian 16 GINC-CIBELES2-320 VALENTIN Optimization Tefluthrin-trans/ CONF42 gas EM64L-G16RevC.01 117 C1[X(C17H14ClF7O2)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.9902,-2.7049,.1427;5.6898,1.0703,-.709;5.9714,-.6863,-1.9595;7.0954,-.4783,-.1138;-2.5915,-.8016,-2.4339;-3.8975,.1949,1.9977;-5.7516,1.905,1.0667;-4.4462,.9067,-3.3643;-.949,-.5129,.5638;.057,-2.3772,1.3393;2.0359,-.264,2.5954;2.6523,-.9231,1.3742;1.2583,-.2926,1.2843;2.5291,1.0974,3.0531;1.6365,-1.1742,3.742;3.7593,-.3203,.6261;.0988,-1.1969,1.0823;4.7843,-.9705,.0726;-2.1492,-1.2962,.3326;5.8863,-.2672,-.6786;-3.1937,-.3585,-.1905;-3.3646,-.141,-1.5546;-4.0206,.3598,.6687;-4.9773,1.2418,.1864;-4.3232,.7416,-2.0335;-5.1575,1.4563,-1.1778;-6.1877,2.4201,-1.6991;2.6311,-2.0061,1.3957;1.1741,.6556,.7678;2.7467,1.7745,2.2254;3.439,.9895,3.6509;1.7695,1.5747,3.6785;1.2967,-2.1494,3.3966;.8313,-.7171,4.3257;2.4929,-1.3192,4.4069;3.7603,.7563,.5037;-2.462,-1.7539,1.2708;-1.9273,-2.0846,-.3863;-5.7566,3.4205,-1.8024;-6.5446,2.1082,-2.6804;-7.0317,2.4897,-1.0131; Optimization Tefluthrin-trans/ CONF42 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 35 19 19 19 19 19 19 19 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/valentin/Almacen/Insecticides/G3/Tefluthrin-trans/gaussian/gas/CONF42/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 2 3 4 5 6 7 8 9 9 10 11 11 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 18 19 19 19 21 21 22 23 24 25 26 27 27 27 18 20 20 20 22 23 24 25 17 19 17 12 13 14 15 13 16 28 17 29 30 31 32 33 34 35 18 36 20 21 37 38 22 23 25 24 26 26 27 39 40 41 1.7481 1.3522 1.3503 1.351 1.3443 1.3449 1.3469 1.3467 1.3545 1.4517 1.2087 1.5185 1.5246 1.5186 1.5175 1.5326 1.4658 1.0833 1.4843 1.083 1.0913 1.094 1.0936 1.0889 1.0946 1.0939 1.334 1.0836 1.5078 1.498 1.0898 1.0897 1.3919 1.392 1.3882 1.3877 1.3927 1.3925 1.504 1.0943 1.0898 1.0898 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 17 12 12 13 13 14 11 11 13 13 16 11 11 12 12 17 11 11 11 30 30 31 11 11 11 33 33 34 12 12 18 9 9 10 1 1 16 9 9 9 21 21 37 2 2 2 3 3 4 19 19 22 5 5 21 6 6 21 7 7 23 8 8 22 24 24 25 26 26 26 39 39 40 9 11 11 11 11 11 12 12 12 12 12 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 27 27 27 19 14 15 14 15 15 16 28 16 28 28 17 29 17 29 29 30 31 32 31 32 32 33 34 35 34 35 35 18 36 36 10 13 13 16 20 20 21 37 38 37 38 38 3 4 18 4 18 18 22 23 23 21 25 25 21 24 24 23 26 26 22 26 26 25 27 27 39 40 41 40 41 41 115.3455 119.98 117.0123 116.2066 120.2872 113.2947 122.5821 114.2055 119.195 113.2456 115.8488 121.7948 115.684 117.8937 117.3158 114.0641 113.1059 110.2658 109.7559 108.0472 107.545 107.9529 112.3068 110.2478 109.433 108.2793 108.568 107.8896 126.2702 117.8369 115.8928 123.2147 110.4125 126.3714 123.8797 113.3713 122.7489 107.1164 109.0712 109.0923 111.3081 111.376 108.8209 107.1459 107.1011 111.4918 106.956 111.9528 111.8937 121.7105 121.4464 116.8283 119.5805 118.9371 121.4818 119.4906 118.9762 121.5326 118.8277 119.3348 121.8375 118.8133 119.3124 121.8742 116.4428 121.7926 121.7611 110.4068 110.6707 110.6874 107.7997 107.825 109.3601 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 19 19 17 17 17 14 14 15 15 14 14 15 15 12 12 12 13 13 13 15 15 15 12 12 12 13 13 13 14 14 14 16 16 28 28 11 11 13 13 28 28 11 11 12 12 29 29 12 12 36 36 1 1 1 16 16 16 9 9 37 37 38 38 19 19 23 23 19 19 22 22 5 5 21 21 6 6 21 21 7 7 23 23 8 8 22 22 24 24 24 25 25 25 9 9 9 9 9 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 16 16 16 16 18 18 18 18 18 18 19 19 19 19 19 19 21 21 21 21 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 26 26 17 17 19 19 19 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 13 13 13 13 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 23 23 23 23 25 25 25 25 24 24 24 24 26 26 26 26 26 26 26 26 27 27 27 27 27 27 10 13 21 37 38 16 28 16 28 17 29 17 29 30 31 32 30 31 32 30 31 32 33 34 35 33 34 35 33 34 35 17 29 17 29 18 36 18 36 18 36 9 10 9 10 9 10 1 20 1 20 2 3 4 2 3 4 22 23 22 23 22 23 5 25 5 25 6 24 6 24 8 26 8 26 7 26 7 26 25 27 25 27 24 27 24 27 39 40 41 39 40 41 0.0944 -179.515 178.039 57.457 -61.2858 2.38 151.0955 -141.3797 7.3357 -142.9051 3.2422 0.0263 146.1735 39.1713 -81.932 159.2692 -30.338 -151.4413 89.7598 -175.8181 63.0786 -55.7202 -33.2117 -154.0548 87.4337 36.7453 -84.0977 157.3907 -179.3272 59.8298 -58.6818 134.7208 -7.7136 -6.8693 -149.3037 142.439 -37.4466 -146.4369 33.6776 -5.8059 174.3085 131.7591 -47.8351 -158.4997 21.9061 -14.8872 165.5186 0.1172 -179.7931 -179.9952 0.0944 -179.976 60.0034 -60.0533 -0.0571 -120.0777 119.8656 91.3124 -87.2424 -149.5382 31.907 -27.9013 153.5438 1.1046 -179.1942 179.723 -0.5758 -1.1165 179.1681 -179.7388 0.5458 -0.0131 179.9293 -179.7162 0.2262 0.036 -179.8809 179.7528 -0.1641 179.8812 0.5489 -0.2024 -179.5346 -179.8859 -0.5534 0.1719 179.5044 89.8996 -150.8279 -29.4151 -89.3972 29.8752 151.2881 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically Berny optimization. local minimum Step number 1 out of a maximum of 2 All quantities printed in internal units (Hartrees-Bohrs-Radians) Second derivative matrix not updated -- analytic derivatives used. 0.00009 0.00101 0.00125 0.00187 0.00248 0.00271 0.00277 0.00307 0.01239 0.01447 0.01741 0.01899 0.01910 0.01958 0.01995 0.02029 0.02182 0.02242 0.02403 0.02551 0.02710 0.02807 0.02886 0.03019 0.03158 0.03216 0.03462 0.04434 0.04545 0.04611 0.04746 0.05102 0.05637 0.05696 0.05785 0.06363 0.06508 0.07473 0.09736 0.09843 0.12003 0.12137 0.12336 0.12366 0.12626 0.12700 0.13013 0.13764 0.13973 0.14211 0.14857 0.15030 0.15571 0.15635 0.15878 0.16140 0.17304 0.17898 0.18088 0.18119 0.18324 0.18640 0.18987 0.19363 0.19617 0.21194 0.21595 0.22362 0.22624 0.22859 0.23116 0.23290 0.23482 0.23511 0.25299 0.25877 0.26277 0.27299 0.29909 0.30427 0.30548 0.31567 0.31772 0.32927 0.33098 0.33144 0.33189 0.33432 0.33459 0.33709 0.33890 0.34052 0.34261 0.34432 0.34545 0.34788 0.34844 0.35362 0.35521 0.35592 0.35619 0.35742 0.36060 0.38052 0.39172 0.41193 0.42707 0.44007 0.44104 0.45866 0.47110 0.47749 0.47867 0.50920 0.52648 0.62095 0.84909 Angle between quadratic step and forces= 82.72 degrees. 1 2 0.00044285 0.00000013 0.00000011 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 3.30337 2.55523 2.55179 2.55308 2.54042 2.54152 2.54537 2.54484 2.55955 2.74333 2.28414 2.86949 2.88104 2.86979 2.86765 2.89614 2.76995 2.04721 2.80494 2.04665 2.06217 2.06745 2.06659 2.05780 2.06842 2.06719 2.52098 2.04765 2.84931 2.83074 2.05939 2.05926 2.63022 2.63054 2.62337 2.62245 2.63187 2.63149 2.84208 2.06793 2.05945 2.05938 2.01316 2.09405 2.04225 2.02819 2.09941 1.97737 2.13946 1.99326 2.08035 1.97651 2.02194 2.12572 2.01907 2.05763 2.04755 1.99079 1.97407 1.92450 1.91560 1.88578 1.87701 1.88413 1.96012 1.92419 1.90997 1.88983 1.89487 1.88303 2.20383 2.05664 2.02271 2.15050 1.92706 2.20560 2.16211 1.97870 2.14237 1.86953 1.90365 1.90402 1.94269 1.94388 1.89928 1.87005 1.86927 1.94590 1.86673 1.95394 1.95291 2.12425 2.11964 2.03904 2.08707 2.07584 2.12026 2.08550 2.07653 2.12114 2.07393 2.08278 2.12647 2.07368 2.08239 2.12711 2.03231 2.12568 2.12513 1.92696 1.93157 1.93186 1.88146 1.88190 1.90869 0.00165 -3.13313 3.10737 1.00281 -1.06964 0.04154 2.63711 -2.46754 0.12803 -2.49416 0.05659 0.00046 2.55121 0.68367 -1.42998 2.77977 -0.52950 -2.64315 1.56660 -3.06861 1.10093 -0.97250 -0.57965 -2.68876 1.52601 0.64133 -1.46778 2.74699 -3.12985 1.04423 -1.02419 2.35132 -0.13463 -0.11989 -2.60584 2.48603 -0.65357 -2.55581 0.58778 -0.10133 3.04226 2.29963 -0.83488 -2.76634 0.38233 -0.25983 2.88884 0.00205 -3.13798 -3.14151 0.00165 -3.14117 1.04726 -1.04813 -0.00100 -2.09575 2.09205 1.59370 -1.52267 -2.60993 0.55688 -0.48697 2.67985 0.01928 -3.12753 3.13676 -0.01005 -0.01949 3.12707 -3.13703 0.00953 -0.00023 3.14036 -3.13664 0.00395 0.00063 -3.13951 3.13728 -0.00286 3.13952 0.00958 -0.00353 -3.13347 -3.13960 -0.00966 0.00300 3.13294 1.56904 -2.63244 -0.51339 -1.56028 0.52142 2.64048 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00003 0.00002 -0.00001 -0.00003 -0.00001 -0.00000 0.00000 0.00006 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00002 0.00003 0.00004 -0.00003 0.00003 -0.00003 0.00000 -0.00002 -0.00000 0.00002 -0.00000 0.00004 -0.00000 -0.00004 0.00002 -0.00002 0.00006 -0.00002 -0.00001 -0.00003 0.00000 0.00009 -0.00002 -0.00002 -0.00006 0.00001 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00002 0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00002 0.00002 -0.00002 0.00001 -0.00002 -0.00002 0.00002 -0.00002 0.00001 0.00001 -0.00002 0.00001 -0.00001 0.00003 -0.00002 0.00003 -0.00004 0.00002 -0.00003 0.00005 -0.00002 0.00000 -0.00011 0.00011 0.00002 0.00002 -0.00002 0.00008 -0.00003 -0.00007 0.00003 -0.00000 -0.00027 -0.00028 -0.00028 0.00000 0.00008 -0.00001 0.00006 -0.00000 0.00014 -0.00008 0.00006 -0.00051 -0.00051 -0.00050 -0.00054 -0.00054 -0.00054 -0.00049 -0.00048 -0.00048 -0.00016 -0.00016 -0.00016 -0.00012 -0.00011 -0.00011 -0.00020 -0.00019 -0.00019 -0.00018 -0.00008 -0.00012 -0.00003 0.00018 0.00015 0.00018 0.00015 0.00011 0.00008 0.00048 0.00045 0.00047 0.00044 0.00036 0.00033 -0.00002 -0.00002 0.00001 0.00001 -0.00002 -0.00002 -0.00002 -0.00002 -0.00003 -0.00002 0.00027 0.00029 0.00027 0.00029 0.00028 0.00030 0.00002 0.00001 -0.00000 -0.00001 -0.00003 -0.00002 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00002 0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00005 0.00001 -0.00005 -0.00001 0.00006 -0.00002 0.00005 -0.00120 -0.00108 -0.00116 -0.00127 -0.00115 -0.00123 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00003 0.00002 -0.00001 -0.00003 -0.00001 -0.00000 0.00000 0.00006 -0.00000 0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00002 0.00003 0.00004 -0.00003 0.00003 -0.00003 0.00000 -0.00002 -0.00000 0.00002 -0.00000 0.00004 -0.00000 -0.00004 0.00002 -0.00002 0.00006 -0.00002 -0.00001 -0.00003 0.00000 0.00009 -0.00002 -0.00002 -0.00006 0.00001 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00002 0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00002 0.00002 -0.00002 0.00001 -0.00002 -0.00002 0.00002 -0.00002 0.00001 0.00001 -0.00002 0.00001 -0.00001 0.00003 -0.00002 0.00003 -0.00004 0.00002 -0.00003 0.00005 -0.00002 0.00000 -0.00011 0.00011 0.00002 0.00002 -0.00002 0.00008 -0.00003 -0.00007 0.00003 -0.00000 -0.00027 -0.00028 -0.00028 0.00000 0.00008 -0.00001 0.00006 -0.00000 0.00014 -0.00008 0.00006 -0.00051 -0.00051 -0.00050 -0.00054 -0.00054 -0.00054 -0.00049 -0.00048 -0.00048 -0.00016 -0.00016 -0.00016 -0.00012 -0.00011 -0.00011 -0.00020 -0.00019 -0.00019 -0.00018 -0.00008 -0.00012 -0.00003 0.00018 0.00015 0.00018 0.00015 0.00011 0.00008 0.00048 0.00045 0.00047 0.00044 0.00036 0.00033 -0.00002 -0.00002 0.00001 0.00001 -0.00002 -0.00002 -0.00002 -0.00002 -0.00003 -0.00002 0.00027 0.00029 0.00027 0.00029 0.00028 0.00030 0.00002 0.00001 -0.00000 -0.00001 -0.00003 -0.00002 -0.00001 0.00000 0.00000 0.00001 0.00001 0.00002 0.00000 0.00000 -0.00001 -0.00001 0.00001 -0.00005 0.00001 -0.00005 -0.00001 0.00006 -0.00002 0.00005 -0.00120 -0.00108 -0.00116 -0.00127 -0.00115 -0.00123 3.30338 2.55522 2.55179 2.55309 2.54041 2.54151 2.54536 2.54483 2.55959 2.74335 2.28414 2.86947 2.88103 2.86979 2.86766 2.89620 2.76994 2.04721 2.80492 2.04665 2.06218 2.06745 2.06660 2.05780 2.06842 2.06720 2.52098 2.04766 2.84931 2.83074 2.05939 2.05926 2.63020 2.63057 2.62341 2.62242 2.63191 2.63146 2.84208 2.06791 2.05944 2.05941 2.01315 2.09408 2.04225 2.02815 2.09943 1.97735 2.13952 1.99324 2.08033 1.97648 2.02194 2.12581 2.01904 2.05761 2.04749 1.99081 1.97408 1.92450 1.91559 1.88577 1.87702 1.88414 1.96013 1.92418 1.90996 1.88982 1.89488 1.88303 2.20384 2.05664 2.02271 2.15050 1.92705 2.20561 2.16212 1.97871 2.14236 1.86953 1.90365 1.90401 1.94270 1.94388 1.89928 1.87007 1.86929 1.94588 1.86675 1.95393 1.95290 2.12427 2.11962 2.03904 2.08708 2.07582 2.12027 2.08550 2.07655 2.12113 2.07396 2.08274 2.12648 2.07365 2.08245 2.12709 2.03231 2.12557 2.12524 1.92699 1.93159 1.93184 1.88154 1.88187 1.90863 0.00167 -3.13313 3.10709 1.00253 -1.06992 0.04154 2.63719 -2.46756 0.12809 -2.49416 0.05672 0.00038 2.55127 0.68316 -1.43049 2.77927 -0.53004 -2.64369 1.56607 -3.06909 1.10045 -0.97298 -0.57982 -2.68892 1.52585 0.64121 -1.46789 2.74687 -3.13005 1.04403 -1.02438 2.35114 -0.13471 -0.12001 -2.60587 2.48621 -0.65342 -2.55563 0.58793 -0.10122 3.04234 2.30011 -0.83443 -2.76587 0.38278 -0.25947 2.88917 0.00203 -3.13800 -3.14150 0.00166 -3.14119 1.04723 -1.04815 -0.00102 -2.09578 2.09203 1.59397 -1.52238 -2.60967 0.55717 -0.48669 2.68014 0.01930 -3.12751 3.13676 -0.01006 -0.01951 3.12705 -3.13704 0.00953 -0.00022 3.14037 -3.13663 0.00396 0.00063 -3.13951 3.13727 -0.00287 3.13953 0.00953 -0.00352 -3.13353 -3.13961 -0.00960 0.00298 3.13299 1.56784 -2.63352 -0.51455 -1.56155 0.52027 2.63925 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000011 0.000002 0.001638 0.000443 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -7.805387e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 1 2 3 4 5 6 7 8 9 9 10 11 11 11 11 12 12 12 13 13 14 14 14 15 15 15 16 16 18 19 19 19 21 21 22 23 24 25 26 27 27 27 18 20 20 20 22 23 24 25 17 19 17 12 13 14 15 13 16 28 17 29 30 31 32 33 34 35 18 36 20 21 37 38 22 23 25 24 26 26 27 39 40 41 1.7481 1.3522 1.3503 1.351 1.3443 1.3449 1.3469 1.3467 1.3545 1.4517 1.2087 1.5185 1.5246 1.5186 1.5175 1.5326 1.4658 1.0833 1.4843 1.083 1.0913 1.094 1.0936 1.0889 1.0946 1.0939 1.334 1.0836 1.5078 1.498 1.0898 1.0897 1.3919 1.392 1.3882 1.3877 1.3927 1.3925 1.504 1.0943 1.0898 1.0898 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 17 12 12 13 13 14 11 11 13 13 16 11 11 12 12 17 11 11 11 30 30 31 11 11 11 33 33 34 12 12 18 9 9 10 1 1 16 9 9 9 21 21 37 2 2 2 3 3 4 19 19 22 5 5 21 6 6 21 7 7 23 8 8 22 24 24 25 26 26 26 39 39 40 9 11 11 11 11 11 12 12 12 12 12 13 13 13 13 13 14 14 14 14 14 14 15 15 15 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 27 27 27 19 14 15 14 15 15 16 28 16 28 28 17 29 17 29 29 30 31 32 31 32 32 33 34 35 34 35 35 18 36 36 10 13 13 16 20 20 21 37 38 37 38 38 3 4 18 4 18 18 22 23 23 21 25 25 21 24 24 23 26 26 22 26 26 25 27 27 39 40 41 40 41 41 115.3455 119.98 117.0123 116.2066 120.2872 113.2947 122.5821 114.2055 119.195 113.2456 115.8488 121.7948 115.684 117.8937 117.3158 114.0641 113.1059 110.2658 109.7559 108.0472 107.545 107.9529 112.3068 110.2478 109.433 108.2793 108.568 107.8896 126.2702 117.8369 115.8928 123.2147 110.4125 126.3714 123.8797 113.3713 122.7489 107.1164 109.0712 109.0923 111.3081 111.376 108.8209 107.1459 107.1011 111.4918 106.956 111.9528 111.8937 121.7105 121.4464 116.8283 119.5805 118.9371 121.4818 119.4906 118.9762 121.5326 118.8277 119.3348 121.8375 118.8133 119.3124 121.8742 116.4428 121.7926 121.7611 110.4068 110.6707 110.6874 107.7997 107.825 109.3601 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 19 19 17 17 17 14 14 15 15 14 14 15 15 12 12 12 13 13 13 15 15 15 12 12 12 13 13 13 14 14 14 16 16 28 28 11 11 13 13 28 28 11 11 12 12 29 29 12 12 36 36 1 1 1 16 16 16 9 9 37 37 38 38 19 19 23 23 19 19 22 22 5 5 21 21 6 6 21 21 7 7 23 23 8 8 22 22 24 24 24 25 25 9 9 9 9 9 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 16 16 16 16 18 18 18 18 18 18 19 19 19 19 19 19 21 21 21 21 21 21 21 21 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 26 17 17 19 19 19 12 12 12 12 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 15 15 15 15 15 13 13 13 13 16 16 16 16 16 16 17 17 17 17 17 17 18 18 18 18 20 20 20 20 20 20 21 21 21 21 21 21 22 22 22 22 23 23 23 23 25 25 25 25 24 24 24 24 26 26 26 26 26 26 26 26 27 27 27 27 27 10 13 21 37 38 16 28 16 28 17 29 17 29 30 31 32 30 31 32 30 31 32 33 34 35 33 34 35 33 34 35 17 29 17 29 18 36 18 36 18 36 9 10 9 10 9 10 1 20 1 20 2 3 4 2 3 4 22 23 22 23 22 23 5 25 5 25 6 24 6 24 8 26 8 26 7 26 7 26 25 27 25 27 24 27 24 27 39 40 41 39 40 0.0944 -179.515 178.039 57.457 -61.2858 2.38 151.0955 -141.3797 7.3357 -142.9051 3.2422 0.0263 146.1735 39.1713 -81.932 159.2692 -30.338 -151.4413 89.7598 -175.8181 63.0786 -55.7202 -33.2117 -154.0548 87.4337 36.7453 -84.0977 157.3907 -179.3272 59.8298 -58.6818 134.7208 -7.7136 -6.8693 -149.3037 142.439 -37.4466 -146.4369 33.6776 -5.8059 174.3085 131.7591 -47.8351 -158.4997 21.9061 -14.8872 165.5186 0.1172 -179.7931 -179.9952 0.0944 -179.976 60.0034 -60.0533 -0.0571 -120.0777 119.8656 91.3124 -87.2424 -149.5382 31.907 -27.9013 153.5438 1.1046 -179.1942 179.723 -0.5758 -1.1165 179.1681 -179.7388 0.5458 -0.0131 179.9293 -179.7162 0.2262 0.036 -179.8809 179.7528 -0.1641 179.8812 0.5489 -0.2024 -179.5346 -179.8859 -0.5534 0.1719 179.5044 89.8996 -150.8279 -29.4151 -89.3972 29.8752 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 686 A 686 1101 713 106 106 2647.3409482735 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0427866994 0.000000 3.932859 0.000000 3.075170 2.174483 0.000000 3.074920 2.174404 2.170907 0.000000 8.230673 8.663692 8.576799 9.966051 0.000000 9.531070 10.000462 10.669116 11.214005 4.726273 0.000000 11.725738 11.608487 12.381490 13.119408 5.437439 2.688749 0.000000 10.695275 10.479323 10.631890 12.070256 2.687720 5.436866 4.725928 0.000000 6.344854 6.942724 7.368124 8.072956 3.430321 3.354154 5.400386 5.447535 0.000000 5.086835 6.914469 6.980039 7.433412 4.871762 4.763111 7.221653 7.292945 2.255913 0.000000 4.549957 5.104012 6.034323 5.743172 6.855293 5.980996 8.227210 8.882896 3.619253 3.155854 0.000000 3.187081 4.188122 4.710170 4.706699 6.481740 6.673657 8.872338 8.728661 3.714069 2.975054 1.518471 0.000000 4.588032 5.046693 5.734978 6.005016 5.376342 5.227685 7.349565 7.455826 2.332404 2.406666 1.524580 1.532571 0.000000 5.383830 4.913708 6.336910 5.776078 7.741658 6.574866 8.553853 9.480182 4.570236 4.595810 1.518627 2.629939 2.583692 0.000000 5.152299 6.424916 7.178892 6.719468 7.493760 5.961664 8.439392 9.582759 4.150093 3.116914 1.517496 2.588758 2.638322 2.536082 0.000000 2.726791 2.728245 3.422317 3.420783 7.065931 7.795685 9.777715 9.206441 4.712676 4.294938 2.617534 1.465794 2.586285 3.068174 3.865837 0.000000 5.204161 6.293559 6.633279 7.134353 4.444910 4.329561 6.621888 6.697325 1.354457 1.208717 2.629090 2.584647 1.484308 3.879992 3.072345 3.791548 0.000000 1.748070 2.365520 2.370484 2.370213 7.791877 8.968676 10.966417 10.026865 5.772503 5.092225 3.797012 2.498376 3.789497 4.271457 4.838908 1.334046 4.798415 0.000000 7.279568 8.254456 8.459877 9.291402 2.844893 2.837718 4.874859 4.878107 1.451706 2.655092 4.868353 4.927301 3.677560 5.917542 5.096161 5.995743 2.371799 6.946025 0.000000 2.724023 1.352169 1.350349 1.351032 8.674114 10.153768 11.966893 10.740203 6.951716 6.519612 5.054209 3.886309 5.027144 5.201795 6.198880 2.495866 6.120531 1.507790 8.164033 0.000000 8.520198 9.012652 9.340018 10.290053 2.364702 2.364270 3.639608 3.639055 2.373054 4.121013 5.926099 6.078027 4.690413 6.737275 6.281783 7.000893 3.628139 8.005777 1.497966 9.093623 0.000000 8.902683 9.174165 9.360674 10.564110 1.344330 3.607723 4.093274 2.354298 3.234327 5.008259 6.811945 6.737360 5.427127 7.582869 7.357474 7.452337 4.479174 8.351076 2.524475 9.293186 1.391855 0.000000 9.532233 9.833333 10.384611 11.174885 3.607869 1.344914 2.354291 4.092096 3.194815 4.956577 6.386059 6.831552 5.354538 7.009087 6.618214 7.809625 4.423044 8.924700 2.521375 10.017715 1.392023 2.371464 0.000000 10.720552 10.706029 11.322368 12.198276 4.090636 2.354348 1.346949 3.605845 4.410029 6.306407 7.566722 8.019220 6.514797 8.036449 7.888061 8.886024 5.702315 10.009787 3.802760 11.001991 2.425721 2.746622 1.387741 0.000000 10.166292 10.105555 10.393363 11.642837 2.353794 4.090344 3.606239 1.346670 4.438973 6.347335 7.929379 7.939768 6.574962 8.541256 8.517288 8.574777 5.746246 9.503290 3.804859 10.348286 2.425395 1.388227 2.745717 2.367713 0.000000 11.047020 10.864342 11.360206 12.450216 3.641455 3.641874 2.364750 2.364065 4.962116 6.944309 8.303116 8.553784 7.091103 8.781425 8.791086 9.269301 6.306855 10.309832 4.348303 11.188672 2.850431 2.430620 2.429939 1.392726 1.392525 0.000000 12.434029 11.994955 12.552361 13.687749 4.883856 4.885022 2.846899 2.845416 6.416177 8.440560 9.657889 9.938194 8.467759 10.015770 10.185438 10.576366 7.767819 11.619828 5.852209 12.411528 4.354381 3.814473 3.814149 2.531537 2.530977 1.503967 0.000000 2.761155 4.821790 4.914900 4.954004 6.587220 6.915818 9.256055 9.012732 3.967199 2.601309 2.197342 1.083335 2.198393 3.519797 2.680798 2.169527 2.676843 2.731165 4.948259 4.233554 6.257683 6.937625 7.097187 8.360519 8.226186 8.903554 10.341175 0.000000 5.123166 4.769120 5.679094 6.092948 5.153036 5.238905 7.043889 6.980325 2.432065 3.282205 2.220043 2.246137 1.083041 2.693293 3.522559 2.766875 2.164982 4.020047 3.878621 5.014823 4.585269 5.160230 5.204033 6.206574 6.170448 6.672041 7.962140 3.098637 0.000000 5.425605 4.215357 5.828174 5.427582 7.539323 6.833119 8.577923 9.150706 4.653135 5.025602 2.190377 2.830371 2.715467 1.091255 3.496815 2.823420 4.140951 4.040003 6.081293 4.739144 6.758293 7.436760 7.086616 8.006310 8.317910 8.611594 9.779676 3.872301 2.418602 0.000000 5.325683 4.907306 6.379430 5.449459 8.752093 7.562269 9.590826 10.554430 5.571552 5.302481 2.157346 3.075817 3.464067 1.094047 2.817641 3.311752 4.747121 4.295981 6.889411 5.129640 7.782420 8.640830 8.058225 9.104956 9.624164 9.870892 11.105977 3.835647 3.681516 1.768476 0.000000 6.417983 5.905431 7.386105 6.852857 7.875654 6.069844 7.968561 9.417119 4.631390 4.901233 2.150557 3.511181 3.078973 1.093594 2.752833 4.107028 4.148886 5.345039 5.898612 6.270994 6.583275 7.529119 6.637734 7.604247 8.392921 8.460580 9.641088 4.333056 3.109919 1.762468 1.769311 0.000000 4.953656 6.820723 7.258141 6.981395 7.136447 5.867854 8.458468 9.382447 3.968116 2.412709 2.177847 2.726071 2.812659 3.489790 1.088940 4.133482 2.774572 4.960052 4.689396 6.419874 6.019812 7.090511 6.481571 7.821021 8.332244 8.693873 10.142135 2.409321 3.846292 4.344112 3.808798 3.764539 0.000000 6.224687 7.221459 8.119457 7.681516 7.577259 5.349027 7.799450 9.467061 4.166928 3.503500 2.156510 3.474241 3.100478 2.791898 1.094562 4.734803 3.359587 5.812052 5.016393 7.127395 6.060139 7.246747 6.170412 7.396660 8.314782 8.418940 9.767639 3.672361 3.828992 3.779979 3.188759 2.559547 1.769616 0.000000 5.132312 6.488674 7.282240 6.505882 8.539090 6.995277 9.461811 10.653567 5.221768 4.057540 2.145698 3.062666 3.511277 2.770240 1.093912 4.110511 4.098812 4.915113 6.176622 6.203595 7.375446 8.440296 7.695406 8.954100 9.601306 9.870292 11.252553 3.091701 4.345436 3.794008 2.607061 3.070580 1.772305 1.769272 0.000000 3.691014 2.300549 3.610715 3.609507 7.169473 7.822288 9.597530 9.073589 4.877725 4.922557 2.896507 2.192260 2.822987 2.851576 4.327158 1.083572 4.190029 2.053364 6.258133 2.639234 7.076908 7.470317 7.792661 8.756794 8.472264 9.101894 10.323914 3.114710 2.601539 2.242426 3.172123 3.835670 4.783436 5.035679 4.598820 0.000000 7.596895 8.851459 9.093759 9.741008 3.827315 2.527208 4.924532 5.700904 2.080604 2.595889 4.919879 5.182328 3.997060 6.018099 4.820840 6.416797 2.627432 7.386359 1.089781 8.700879 2.148938 3.376226 2.694337 4.059168 4.539807 4.854612 6.334328 5.100848 4.390935 6.363282 6.929131 5.897616 4.336255 4.610122 5.880110 6.753247 0.000000 6.965443 8.250964 8.174329 9.168586 2.505888 3.842008 5.714274 4.915337 2.080817 2.645960 5.283187 5.041916 4.018784 6.466387 5.529277 6.039465 2.655164 6.818928 1.089712 8.027557 2.149725 2.684739 3.386652 4.549154 4.054642 4.857803 6.337672 4.894983 4.296449 6.600000 7.385558 6.601459 4.970822 5.628815 6.565063 6.419618 1.772378 0.000000 12.521927 11.736239 12.427219 13.536044 5.314402 5.319974 3.244731 3.236697 6.647069 8.791030 9.676706 9.983314 8.516076 9.880517 10.320344 10.509186 7.995455 11.571799 6.310232 12.264559 4.842279 4.297398 4.299766 3.051161 3.047109 2.146422 1.094300 10.489437 7.892080 9.551835 10.963869 9.491513 10.382782 9.903201 11.361126 10.148215 6.861030 6.853777 0.000000 12.813618 12.435654 12.844426 14.118297 4.914739 5.705561 3.835463 2.512905 6.978958 8.936369 10.348260 10.498155 9.075713 10.780861 10.906532 11.090582 8.319636 12.058260 6.323584 12.813203 4.849012 4.054488 4.543586 3.380226 2.687188 2.146336 1.089812 10.850575 8.577812 10.512213 11.874741 10.480694 10.795523 10.558038 11.985621 10.869997 6.869921 6.645381 1.764739 0.000000 13.147117 12.804062 13.418726 14.463436 5.706703 4.914766 2.511155 3.836523 6.964279 8.914638 10.140264 10.541606 9.041203 10.482399 10.543852 11.270675 8.296108 12.359974 6.323200 13.213149 4.849649 4.545477 4.053626 2.686395 3.381302 2.146517 1.089777 10.926264 8.594798 10.325477 11.560209 10.015436 10.503753 10.030596 11.601862 11.035006 6.641297 6.882672 1.764995 1.778406 0.000000 C17H14ClF7O2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.1375,-.2838,-1.6621;-5.0831,-1.6445,2.0274;-5.5475,-2.7061,.1874;-6.7874,-1.0402,.82;2.8695,-2.1673,-1.3701;3.904,2.2395,-.011;6.1081,1.3371,1.2369;5.0736,-3.0688,-.124;1.0264,.5655,-.4202;-.3586,1.4307,-1.9765;-2.0478,2.1942,.5775;-2.6514,.9948,-.1316;-1.1666,.9944,.248;-2.3367,2.4299,2.0496;-1.9238,3.4775,-.2228;-3.5603,.0583,.5358;-.169,1.0349,-.8503;-4.626,-.5309,-.0089;2.0878,.5678,-1.4107;-5.5122,-1.4816,.7556;3.3247,.0638,-.7326;3.6593,-1.2872,-.7308;4.1793,.9236,-.0482;5.3166,.4562,.595;4.7983,-1.7512,-.0868;5.6599,-.8935,.5924;6.8872,-1.4004,1.2985;-2.8219,1.1445,-1.1909;-.8696,.3843,1.0921;-2.3533,1.5095,2.6356;-3.3039,2.9266,2.1712;-1.568,3.0794,2.4778;-1.7285,3.2897,-1.2774;-1.1101,4.0935,.1727;-2.8515,4.0509,-.1371;-3.3616,-.1879,1.5722;2.2256,1.5828,-1.7826;1.8007,-.0753,-2.2422;6.6492,-1.6688,2.3324;7.2754,-2.2907,.8042;7.6616,-.634,1.3227; 0.3026305 0.0600673 0.0556337 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 686 RedAO= T EigKep= 1.27D-06 NBF= 686 NBsUse= 685 1.00D-06 EigRej= 9.37D-07 NBFU= 685 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 680 680 680 680 680 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1966.25082059695 -1966.25082060 1 1.960017879705e+03 -9.933118409877e+03 3.359551548001e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245691381 LenY= 4245182299 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 41. Will process 42 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 12800 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 4246732800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 690000000 NMat= 123 IRICut= 307 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 123 NMatS0= 123 NMatT0= 0 NMatD0= 123 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 68.13% of shell-pairs survive, threshold= 0.20 IRatSp=68. There are 126 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 123 vectors produced by pass 0 Test12= 6.14D-14 1.00D-09 XBig12= 2.30D+02 5.86D+00. AX will form 123 AO Fock derivatives at one time. 123 vectors produced by pass 1 Test12= 6.14D-14 1.00D-09 XBig12= 6.69D+01 2.46D+00. 123 vectors produced by pass 2 Test12= 6.14D-14 1.00D-09 XBig12= 7.86D-01 8.93D-02. 123 vectors produced by pass 3 Test12= 6.14D-14 1.00D-09 XBig12= 3.31D-03 4.84D-03. 123 vectors produced by pass 4 Test12= 6.14D-14 1.00D-09 XBig12= 1.34D-05 3.94D-04. 115 vectors produced by pass 5 Test12= 6.14D-14 1.00D-09 XBig12= 2.28D-08 1.10D-05. 62 vectors produced by pass 6 Test12= 6.14D-14 1.00D-09 XBig12= 3.18D-11 3.70D-07. 3 vectors produced by pass 7 Test12= 6.14D-14 1.00D-09 XBig12= 4.60D-14 2.32D-08. 1 vectors produced by pass 8 Test12= 6.14D-14 1.00D-09 XBig12= 8.02D-17 1.35D-09. InvSVY: IOpt=1 It= 1 EMax= 2.13D-14 Solved reduced A of dimension 796 with 126 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 227.75 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 283.147 0.528 213.865 30.451 5.048 186.241 349.419 6.872 328.031 56.186 10.500 294.348 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT110333.300S 2023-05-13T04:23:27.000 -101.57566 -24.72847 -24.72588 -24.72527 -24.72353 -24.72314 -24.72121 -24.72115 -19.19002 -19.12969 -10.44758 -10.32249 -10.30079 -10.30078 -10.29722 -10.29707 -10.26606 -10.26298 -10.23639 -10.23267 -10.22795 -10.22400 -10.21697 -10.21657 -10.20170 -10.18720 -10.17673 -9.49007 -7.25494 -7.24472 -7.24444 -1.33116 -1.27249 -1.27176 -1.25841 -1.25784 -1.24467 -1.23949 -1.12954 -1.04301 -0.92156 -0.92017 -0.90166 -0.84255 -0.80376 -0.79099 -0.78382 -0.76293 -0.74253 -0.71867 -0.71381 -0.67631 -0.67234 -0.65513 -0.63673 -0.61243 -0.60840 -0.60339 -0.59130 -0.58658 -0.58512 -0.57428 -0.56607 -0.55864 -0.53611 -0.53100 -0.52844 -0.51175 -0.50458 -0.49728 -0.49461 -0.48964 -0.48712 -0.48395 -0.48377 -0.48075 -0.47040 -0.46015 -0.45757 -0.45421 -0.45069 -0.44497 -0.44452 -0.44110 -0.43408 -0.42655 -0.42590 -0.42443 -0.41972 -0.41599 -0.40787 -0.40602 -0.40177 -0.39562 -0.39044 -0.38774 -0.37394 -0.37111 -0.34178 -0.33735 -0.33108 -0.31470 -0.30421 -0.28486 -0.27313 -0.27125 -0.05872 -0.05139 -0.03267 -0.02959 -0.01658 -0.01101 0.00065 0.00639 0.01050 0.01491 0.02041 0.02371 0.02947 0.03267 0.03722 0.03924 0.04168 0.04581 0.04830 0.05280 0.05387 0.06100 0.06279 0.06552 0.06842 0.07073 0.07304 0.07550 0.07937 0.08338 0.08452 0.08782 0.09422 0.09789 0.09977 0.10436 0.10644 0.10952 0.11102 0.11366 0.11718 0.12279 0.12433 0.12890 0.12994 0.13213 0.13425 0.13519 0.13750 0.14319 0.14496 0.14574 0.14674 0.15265 0.15314 0.15765 0.15808 0.16174 0.16407 0.16778 0.16954 0.17436 0.17549 0.17923 0.18068 0.18215 0.18619 0.18861 0.19185 0.19361 0.19489 0.20216 0.20326 0.20646 0.20911 0.21102 0.21446 0.21622 0.22122 0.22422 0.22584 0.23010 0.23160 0.23424 0.23595 0.23888 0.24321 0.24509 0.24723 0.25008 0.25234 0.25324 0.26157 0.26541 0.26948 0.27225 0.27557 0.27849 0.28191 0.28479 0.29058 0.29389 0.29463 0.29802 0.30278 0.30579 0.30946 0.31464 0.31862 0.32400 0.32469 0.32677 0.33089 0.33403 0.33645 0.33988 0.34295 0.34416 0.35100 0.35400 0.35587 0.35894 0.36214 0.36499 0.36772 0.36882 0.37052 0.37455 0.38080 0.38333 0.38585 0.38703 0.39047 0.39371 0.39919 0.40472 0.40777 0.41109 0.41743 0.42072 0.42127 0.42375 0.43252 0.43774 0.43994 0.44760 0.45771 0.46484 0.46893 0.47786 0.48548 0.48985 0.49550 0.50349 0.50494 0.50730 0.51525 0.52276 0.52834 0.53031 0.53763 0.54124 0.55039 0.55332 0.55713 0.55999 0.56291 0.56762 0.57338 0.57815 0.58286 0.58863 0.59664 0.60097 0.60935 0.61777 0.62248 0.62493 0.63474 0.63822 0.63990 0.64717 0.65045 0.65182 0.65915 0.66597 0.66641 0.66802 0.67133 0.68007 0.68347 0.69153 0.69440 0.70016 0.70431 0.71149 0.71685 0.72044 0.72299 0.73245 0.73944 0.74122 0.74715 0.75290 0.75412 0.76139 0.77334 0.77966 0.78862 0.78882 0.79968 0.80898 0.81660 0.82630 0.84369 0.85193 0.85847 0.86862 0.88421 0.88712 0.89821 0.90384 0.91026 0.91900 0.92076 0.93211 0.94222 0.94329 0.95084 0.95660 0.96765 0.97133 0.97903 0.98836 0.99690 1.00304 1.03508 1.04041 1.05530 1.06183 1.06896 1.07200 1.08003 1.08340 1.11326 1.11968 1.12202 1.13284 1.13625 1.14737 1.16115 1.16870 1.17541 1.20254 1.21866 1.23075 1.23893 1.25827 1.27301 1.29544 1.31123 1.32810 1.32884 1.33742 1.34118 1.35269 1.36247 1.37645 1.38214 1.38791 1.39328 1.40275 1.40459 1.40770 1.40909 1.41015 1.41583 1.41929 1.42443 1.43033 1.43614 1.43821 1.44426 1.45182 1.45439 1.45839 1.46638 1.47314 1.47668 1.48049 1.48177 1.49100 1.49436 1.50369 1.50796 1.51340 1.52115 1.52626 1.53296 1.54146 1.54604 1.55138 1.55551 1.55981 1.56862 1.57855 1.58067 1.59607 1.60770 1.61097 1.61766 1.62364 1.63135 1.63489 1.64175 1.65636 1.65953 1.66954 1.67097 1.67596 1.68534 1.68890 1.70038 1.70654 1.71009 1.72168 1.72491 1.73515 1.74674 1.76199 1.77201 1.77921 1.78255 1.79830 1.80905 1.81639 1.82248 1.82844 1.84124 1.84236 1.86095 1.86224 1.87807 1.88497 1.89710 1.90674 1.92897 1.93514 1.93670 1.94863 1.95965 1.96706 1.98054 2.00004 2.00584 2.01246 2.01862 2.02564 2.04835 2.05698 2.06957 2.07841 2.08017 2.08483 2.09899 2.11121 2.12071 2.13686 2.15478 2.15981 2.17445 2.18271 2.20182 2.20443 2.22809 2.23005 2.24017 2.25504 2.27952 2.29840 2.30627 2.31915 2.32891 2.34652 2.37200 2.37973 2.39226 2.40065 2.41714 2.42104 2.43481 2.45931 2.46983 2.47018 2.49193 2.50752 2.51446 2.53094 2.53398 2.54002 2.54023 2.54883 2.57465 2.58809 2.60237 2.60650 2.61376 2.64061 2.64304 2.64800 2.65878 2.67353 2.69534 2.70515 2.71142 2.72097 2.73876 2.74086 2.74871 2.77829 2.78736 2.80509 2.82777 2.84305 2.85027 2.86291 2.86593 2.88478 2.88846 2.89300 2.90763 2.92011 2.93122 2.96774 2.97509 2.98901 3.00393 3.02406 3.05011 3.06522 3.06737 3.06928 3.08617 3.09500 3.09883 3.11696 3.12773 3.16239 3.17315 3.18979 3.20001 3.20537 3.22275 3.24466 3.24979 3.33705 3.36777 3.39353 3.42609 3.43465 3.51338 3.55863 3.58390 3.62759 3.63244 3.66701 3.70117 3.70607 3.73630 3.74139 3.75112 3.75226 3.75427 3.75995 3.76084 3.76548 3.76692 3.76736 3.77554 3.78131 3.78584 3.79257 3.79716 3.80254 3.81421 3.82004 3.82755 3.82987 3.88349 3.89768 3.90497 3.91966 3.92956 3.93625 3.97025 3.97726 3.97997 3.99490 3.99790 4.03435 4.05838 4.10571 4.12752 4.14640 4.15885 4.17638 4.18023 4.19172 4.23578 4.29309 4.37441 4.52114 4.53803 4.68364 4.76901 4.79299 4.87869 4.90721 4.91614 4.91982 4.94808 5.05286 5.09295 5.26576 5.37899 5.64487 5.87893 6.28576 6.29302 6.29866 6.32212 6.33355 6.35465 6.35863 6.36515 6.37955 6.38680 6.40231 6.42037 6.45430 6.49845 6.52182 6.59890 6.71733 6.72275 6.74696 6.80466 6.83326 9.79955 23.40496 23.46253 23.60290 23.77798 23.78463 23.84601 23.85557 23.86515 23.88126 23.93794 23.94837 23.97333 23.97706 23.99298 24.02348 24.10170 24.18362 25.86162 26.16053 26.60671 49.90695 50.01610 66.73524 66.75124 66.76086 66.76487 66.79449 66.80778 66.84373 215.79747 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 Cl F F F F F F F O O C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H 0.419655 -0.154297 -0.071174 -0.072371 -0.184539 -0.184257 -0.198017 -0.196835 0.066429 -0.242781 0.187199 0.152084 -0.221243 -0.496799 -0.519781 -0.340236 -0.320973 -0.391819 0.185751 0.417306 0.673643 -0.518869 -0.270256 -0.545097 -0.503383 1.217107 -0.195189 0.191014 0.167041 0.128805 0.156013 0.158579 0.169990 0.147295 0.150488 0.147874 0.187429 0.189069 0.185452 0.165138 0.164553 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 Cl F F F F F F F O O C C C C C C C C C C C C C C C C C 0.419655 -0.154297 -0.071174 -0.072371 -0.184539 -0.184257 -0.198017 -0.196835 0.066429 -0.242781 0.187199 0.343099 -0.054201 -0.053402 -0.052009 -0.192363 -0.320973 -0.391819 0.562250 0.417306 0.673643 -0.518869 -0.270256 -0.545097 -0.503383 1.217107 0.319954 -0.00000 1.52373623e+00 6.78762208e-01 8.24714149e-01 2.83147307e+02 5.28135561e-01 2.13865359e+02 3.04506651e+01 5.04829076e+00 1.86241465e+02 -1.1024 -0.0007 -0.0002 0.0016 1.0420 3.1535 6.9445 11.1748 16.5708 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 6.9341 11.1674 16.5685 25.4812 35.1498 35.7111 44.6346 64.6520 74.9081 111.1068 120.7626 130.0540 137.0981 159.3101 166.6543 181.4945 195.3544 206.1024 223.0021 225.6785 248.4279 263.0650 280.1219 284.0342 295.3269 298.4928 314.0827 336.3421 346.0426 354.9765 371.1255 387.4991 405.2250 415.3824 448.8176 452.4380 470.7250 481.3186 487.4624 534.9901 549.3493 570.5615 605.9322 622.1557 647.0499 656.2210 666.0885 687.5298 716.0749 720.6267 732.8154 767.0695 795.0064 840.4429 884.4606 902.1100 920.9142 946.3409 955.3557 971.3451 980.3043 993.5082 1015.8577 1037.8545 1042.9042 1056.3910 1082.9614 1087.7861 1111.4800 1118.3014 1122.3836 1134.5541 1136.7813 1140.4746 1173.4871 1199.9742 1246.0638 1269.5694 1277.7537 1292.5007 1318.3319 1328.7068 1335.7009 1387.1248 1409.4575 1415.8184 1419.9485 1431.2844 1433.5390 1463.4300 1476.9033 1486.8966 1489.1103 1494.4918 1502.4193 1506.5634 1512.9572 1516.2906 1516.9691 1635.7371 1683.6197 1702.1282 1774.9497 3023.2883 3027.6151 3038.1545 3078.5958 3082.5097 3086.0438 3103.1942 3104.1219 3132.6459 3134.0957 3138.5251 3168.5392 3172.8136 3188.2898 9.5828 12.1718 9.9060 9.0590 1.0364 5.8152 16.6675 7.0879 6.1028 5.6288 6.2864 15.8865 5.9917 5.7999 4.7121 2.1933 6.3760 5.1338 4.9402 1.4696 4.0649 2.4188 3.7382 3.0234 3.2575 7.9012 8.8391 4.9759 5.1478 7.4639 12.5340 3.7347 3.1212 12.6275 3.8999 13.5007 5.4392 8.6356 6.5702 3.5055 12.0243 7.2499 6.8952 8.4965 6.4215 7.9397 4.5433 12.1494 4.4308 7.8360 9.5414 5.6682 6.5347 4.8628 2.6890 3.2276 1.8129 5.9382 4.3686 7.1720 1.4731 1.7642 1.6468 1.9832 2.0832 1.4759 1.7085 2.4047 1.6540 5.2761 11.8774 4.5566 5.8689 1.9298 2.4346 4.2649 2.5735 1.2722 5.5629 6.0653 2.0034 1.4007 4.2541 1.4526 2.3598 1.4293 1.3670 1.9685 1.2550 2.0908 1.4404 1.1191 1.0482 1.0491 4.4430 1.1850 1.0912 1.3454 1.9437 8.0740 11.6390 7.2831 11.5764 1.0383 1.0372 1.0428 1.1015 1.0571 1.1017 1.0917 1.1007 1.1098 1.0981 1.1041 1.0906 1.0872 1.0868 0.0003 0.0009 0.0016 0.0035 0.0008 0.0044 0.0196 0.0175 0.0202 0.0409 0.0540 0.1583 0.0664 0.0867 0.0771 0.0426 0.1434 0.1285 0.1447 0.0441 0.1478 0.0986 0.1728 0.1437 0.1674 0.4148 0.5137 0.3317 0.3632 0.5541 1.0171 0.3304 0.3020 1.2837 0.4629 1.6283 0.7101 1.1787 0.9198 0.5911 2.1380 1.3906 1.4916 1.9377 1.5840 2.0144 1.1877 3.3837 1.3386 2.3975 3.0189 1.9650 2.4334 2.0237 1.2394 1.5476 0.9059 3.1333 2.3492 3.9869 0.8341 1.0260 1.0013 1.2586 1.3350 0.9704 1.1806 1.6765 1.2039 3.8876 8.8157 3.4557 4.4685 1.4788 1.9753 3.6183 2.3542 1.2081 5.3511 5.9699 2.0515 1.4570 4.4718 1.6467 2.7621 1.6881 1.6239 2.3760 1.5195 2.6382 1.8511 1.4578 1.3695 1.3805 5.9090 1.5846 1.4717 1.8225 2.6354 12.7281 19.4381 12.4322 21.4879 5.5915 5.6017 5.6714 6.1508 5.9182 6.1816 6.1940 6.2490 6.4169 6.3552 6.4078 6.4511 6.4486 6.5093 0.1767 0.0856 0.0671 0.0907 0.1540 0.2571 0.1314 1.5102 0.3352 0.9293 0.5491 0.0574 0.8314 1.1426 0.5011 0.2685 0.4488 1.7448 1.7062 0.2724 3.2887 3.2163 0.2845 2.6932 2.9822 1.4874 2.9545 7.2203 3.3423 8.9668 0.0469 0.6986 0.1350 0.0041 11.0781 0.0221 4.4245 10.4258 0.3326 6.9319 0.8837 1.0917 28.3408 2.5013 19.3977 8.6216 3.4819 0.0017 0.2367 12.0575 3.7321 11.5875 67.0391 49.4788 79.3481 22.5961 50.3371 28.3165 52.5382 20.9658 8.2910 14.4085 26.9355 14.6186 8.8713 7.6250 23.8268 139.7023 75.8369 10.5803 295.3558 287.6460 9.4722 120.3798 452.8817 290.0347 269.9745 12.1611 219.8145 106.1185 43.0639 10.5936 16.8627 135.8147 0.6985 2.0245 16.1235 3.2246 7.5153 68.8076 72.6348 11.1350 3.5958 9.2203 8.5029 2.9645 14.4459 108.6750 212.7523 0.0580 7.8425 48.5515 231.0248 16.6112 40.2161 10.4539 12.3688 7.1888 30.9136 7.9424 23.4495 2.2042 3.4987 2.7052 1.3520 1.0563 1.4626 -0.11 0.14 0.03 -0.08 -0.02 -0.03 -0.20 0.09 -0.07 -0.08 0.14 0.04 0.18 -0.09 -0.02 -0.13 -0.02 -0.01 -0.08 0.13 0.01 0.23 0.06 0.00 0.00 -0.15 -0.03 0.00 -0.12 -0.01 0.06 -0.11 0.03 0.01 -0.06 0.01 0.01 -0.13 -0.01 0.09 -0.13 0.04 0.11 -0.09 0.06 -0.02 -0.04 -0.01 0.01 -0.14 -0.02 -0.07 0.04 0.00 0.00 -0.14 -0.03 -0.11 0.07 -0.01 0.03 -0.06 -0.02 0.11 -0.04 -0.01 -0.04 -0.00 -0.01 -0.02 0.07 0.00 0.14 0.04 -0.00 0.07 0.10 0.01 0.10 0.18 0.02 0.00 -0.03 0.01 -0.00 -0.16 -0.03 0.06 -0.15 0.02 0.11 -0.10 0.06 0.12 -0.17 0.05 0.09 -0.07 0.06 0.14 -0.13 0.07 0.13 -0.06 0.09 -0.01 -0.10 -0.02 -0.04 -0.14 -0.07 0.03 -0.18 -0.01 0.10 0.15 0.01 0.17 0.21 0.02 0.05 0.23 0.04 0.03 -0.11 0.02 0.02 0.13 0.10 0.05 0.00 0.17 0.02 0.03 0.05 0.16 0.02 -0.28 -0.17 -0.06 0.25 -0.20 -0.07 0.29 0.13 0.01 -0.25 -0.00 0.00 -0.04 0.01 -0.03 -0.06 -0.00 0.06 -0.10 0.00 0.03 -0.04 0.00 0.05 -0.05 0.00 0.13 -0.11 -0.01 0.03 -0.16 0.01 0.05 0.00 0.00 0.00 -0.05 0.02 0.00 0.03 0.00 -0.01 -0.03 0.03 0.04 0.09 -0.01 -0.02 -0.01 0.07 -0.00 -0.14 -0.09 -0.04 0.13 -0.11 -0.05 0.15 0.06 -0.00 -0.12 -0.03 -0.03 0.02 -0.05 -0.03 0.04 -0.00 -0.02 -0.05 0.01 0.09 -0.02 0.02 0.16 -0.07 0.00 0.13 -0.13 0.00 0.15 -0.15 -0.02 -0.02 -0.15 -0.01 0.05 -0.19 -0.01 0.03 -0.18 0.01 0.12 0.02 0.02 -0.01 -0.03 0.01 -0.01 -0.03 -0.09 -0.16 -0.00 0.03 0.04 -0.03 -0.09 0.01 0.17 0.21 -0.14 -0.09 -0.20 0.19 0.03 0.11 -0.01 0.07 -0.07 -0.01 -0.26 0.01 -0.08 0.02 -0.11 -0.04 -0.05 -0.05 0.05 -0.09 0.07 0.00 -0.02 -0.05 -0.08 0.03 -0.04 0.03 0.09 0.03 0.04 0.14 -0.03 0.09 0.10 -0.02 0.01 0.09 0.06 0.00 0.15 0.09 0.06 0.18 -0.07 0.11 0.07 -0.04 -0.01 0.07 0.02 0.02 -0.01 -0.08 -0.10 0.01 -0.03 0.05 -0.04 -0.05 -0.06 -0.01 -0.01 -0.05 -0.00 -0.07 -0.03 -0.04 -0.03 0.02 -0.06 0.02 -0.01 -0.03 0.01 0.03 -0.06 0.05 0.08 -0.08 -0.02 0.13 0.11 -0.04 -0.03 0.07 0.04 -0.01 0.12 0.09 0.04 0.18 0.10 -0.04 0.16 0.07 0.09 0.17 0.12 0.01 0.19 0.12 0.10 0.21 -0.18 0.19 0.11 -0.10 -0.11 -0.03 -0.09 -0.14 0.04 0.08 0.08 -0.08 0.07 0.09 -0.09 0.02 0.11 -0.11 -0.01 0.11 0.04 0.18 -0.10 -0.04 0.20 -0.02 -0.08 0.11 -0.14 0.05 0.02 -0.12 -0.03 -0.14 -0.05 -0.13 -0.19 0.04 0.02 -0.03 -0.03 0.12 -0.03 -0.06 -0.10 -0.00 0.14 -0.02 0.05 0.07 0.04 0.01 0.10 0.02 0.03 0.07 -0.02 0.10 0.02 0.06 0.05 0.09 0.08 0.05 0.06 0.01 -0.00 0.06 -0.05 0.06 0.04 0.01 -0.05 -0.13 -0.12 0.14 -0.05 -0.01 -0.05 -0.08 -0.09 -0.03 -0.08 -0.03 -0.11 -0.04 -0.07 -0.13 0.00 0.01 -0.05 -0.03 0.05 -0.11 0.01 0.07 -0.14 0.06 0.17 -0.02 0.14 0.03 0.03 0.03 -0.05 0.09 -0.00 0.03 0.11 0.04 0.11 0.13 -0.01 0.06 0.02 0.12 0.07 0.07 0.07 0.08 0.06 0.10 0.13 0.09 0.01 -0.01 -0.05 -0.15 -0.19 -0.06 -0.18 -0.08 -0.20 0.10 0.16 -0.10 0.04 0.23 -0.15 0.07 0.18 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.02 0.01 -0.01 -0.01 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.03 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.14 0.59 0.19 -0.29 -0.29 0.36 0.19 -0.14 -0.49 0.04 -0.07 -0.01 -0.05 0.05 0.04 -0.06 0.01 0.07 -0.01 0.07 -0.00 -0.01 0.10 -0.10 0.07 0.07 -0.07 -0.03 -0.00 0.07 -0.13 0.02 0.05 0.04 0.01 -0.10 -0.03 -0.04 -0.07 0.09 -0.10 0.05 0.03 -0.04 0.01 0.04 -0.11 -0.05 0.17 -0.16 0.07 0.10 -0.06 0.10 0.01 -0.03 0.01 0.01 -0.05 -0.08 0.01 -0.03 0.01 0.05 0.10 -0.09 -0.03 0.02 0.03 0.03 0.08 -0.09 -0.01 0.07 -0.06 0.03 0.06 -0.05 -0.03 0.02 0.02 -0.07 0.03 0.01 -0.08 0.01 0.06 -0.16 -0.04 0.16 -0.01 0.01 0.02 0.06 -0.15 -0.10 0.17 -0.19 0.03 0.18 -0.14 0.14 0.20 -0.20 0.06 0.05 -0.02 0.09 0.14 -0.11 0.10 0.13 -0.03 0.17 -0.00 -0.01 0.01 0.03 0.13 -0.03 0.07 0.15 -0.14 -0.25 -0.02 0.14 -0.16 -0.06 0.19 -0.13 -0.07 0.21 -0.23 0.23 0.09 -0.19 0.23 0.09 0.43 -0.11 0.13 -0.14 -0.37 -0.28 -0.00 0.06 0.00 0.07 0.03 0.04 0.06 -0.02 0.03 -0.01 0.01 -0.01 0.02 0.00 -0.01 -0.03 -0.19 -0.08 0.05 -0.05 -0.04 -0.02 -0.02 -0.03 -0.02 -0.09 -0.05 0.09 -0.02 -0.04 0.12 -0.06 -0.05 -0.04 0.01 -0.01 -0.01 -0.11 -0.05 -0.11 0.10 0.04 0.04 0.06 0.02 -0.01 -0.03 -0.00 0.03 0.04 0.02 0.01 0.04 0.01 0.05 0.02 0.03 0.04 -0.00 0.02 0.01 0.01 0.00 0.02 -0.01 0.01 0.02 -0.03 -0.00 -0.04 -0.01 -0.02 -0.03 -0.10 -0.05 0.03 -0.02 -0.04 0.13 0.04 -0.02 0.14 -0.08 -0.05 0.09 -0.08 -0.05 0.16 -0.10 -0.07 0.15 -0.00 -0.04 0.02 -0.06 -0.04 0.03 0.07 0.06 0.07 0.09 -0.02 0.02 -0.03 -0.00 -0.00 -0.04 -0.01 0.03 -0.05 -0.01 -0.08 0.01 0.01 -0.08 0.14 0.06 0.00 -0.03 0.14 -0.02 0.03 -0.07 0.07 -0.04 -0.03 0.03 -0.02 -0.06 0.00 0.00 -0.01 0.04 -0.02 0.03 0.03 -0.05 -0.05 0.14 0.36 0.07 -0.07 -0.06 -0.01 0.05 -0.09 -0.07 0.05 0.03 -0.02 -0.15 -0.16 -0.00 -0.20 -0.01 0.06 0.08 -0.12 -0.08 0.08 0.14 0.01 0.01 -0.04 -0.02 0.04 -0.03 -0.04 -0.02 0.02 0.03 0.04 -0.03 -0.04 0.05 -0.03 -0.02 0.03 -0.02 -0.04 0.02 -0.01 -0.01 0.03 -0.02 0.01 0.02 -0.01 0.02 -0.00 0.00 0.06 0.05 -0.07 -0.06 0.07 0.02 -0.04 -0.02 -0.18 -0.03 -0.23 -0.31 -0.01 -0.26 -0.05 0.04 -0.15 0.06 0.05 -0.28 0.06 0.11 -0.27 -0.12 0.07 0.12 -0.16 -0.09 0.04 -0.03 -0.03 0.05 -0.03 -0.05 -0.03 0.01 0.06 0.01 -0.00 0.08 -0.00 0.00 0.07 0.12 0.10 0.07 -0.13 -0.06 0.01 -0.02 0.00 -0.06 -0.02 0.02 -0.11 0.05 -0.01 -0.10 0.02 0.00 -0.11 -0.04 0.01 0.00 -0.00 -0.00 -0.00 0.08 0.08 0.07 -0.05 -0.14 0.06 -0.04 0.01 0.01 0.08 -0.10 0.11 0.07 0.05 0.14 -0.10 0.11 -0.02 -0.14 -0.05 -0.11 0.07 -0.09 0.12 0.03 -0.01 0.10 0.05 -0.02 0.07 -0.01 -0.01 -0.03 -0.03 -0.02 -0.02 0.03 -0.00 -0.08 0.03 -0.00 -0.08 0.02 0.00 -0.08 -0.02 0.00 -0.03 0.00 -0.00 -0.03 -0.03 -0.00 0.01 -0.09 -0.01 0.11 0.12 -0.20 0.09 0.12 0.15 0.20 -0.05 0.16 0.05 -0.15 0.04 -0.10 -0.17 0.21 -0.05 -0.08 -0.13 -0.08 -0.23 0.08 -0.14 -0.21 -0.15 -0.20 0.06 -0.13 0.11 -0.01 -0.04 -0.10 -0.09 -0.06 0.04 -0.17 0.01 0.10 -0.07 -0.02 0.16 -0.08 -0.02 0.16 -0.09 -0.06 -0.07 0.08 0.04 -0.02 0.02 0.01 0.01 -0.01 -0.04 0.07 0.10 0.01 -0.12 0.10 0.01 -0.12 0.04 0.00 -0.05 0.05 0.00 -0.05 0.01 -0.01 0.13 0.00 -0.06 0.11 -0.03 0.03 0.03 -0.04 0.07 -0.03 -0.06 -0.01 0.08 -0.19 0.03 0.00 0.14 0.04 0.07 -0.09 0.09 -0.07 -0.01 -0.04 0.12 -0.07 0.04 -0.06 -0.03 -0.02 0.07 0.00 0.02 -0.00 0.02 -0.00 -0.02 0.05 0.00 -0.06 0.05 0.00 -0.06 0.03 -0.00 -0.03 0.04 -0.00 -0.03 -0.00 -0.01 0.03 -0.10 -0.03 0.19 0.03 0.06 -0.04 -0.14 -0.04 0.09 -0.26 0.03 0.00 -0.20 0.04 -0.11 -0.23 0.03 0.09 0.19 0.06 0.08 0.16 -0.05 0.15 0.18 0.12 0.02 -0.11 0.11 -0.06 -0.06 -0.02 0.05 -0.08 -0.02 0.09 -0.25 0.01 0.17 -0.07 -0.06 0.27 -0.08 -0.06 0.27 -0.01 0.04 -0.05 0.11 0.12 -0.01 0.04 -0.00 0.08 0.08 0.07 0.00 -0.07 -0.05 0.08 -0.07 -0.02 -0.02 -0.09 -0.00 0.06 0.00 -0.01 -0.01 0.09 0.26 0.06 -0.07 -0.23 -0.06 -0.02 -0.04 0.05 0.07 -0.03 -0.05 0.04 0.01 0.02 -0.16 -0.16 0.04 -0.00 0.01 0.13 0.09 -0.06 -0.10 0.02 0.02 0.01 0.06 -0.02 -0.08 -0.00 -0.00 -0.03 0.07 0.04 -0.01 -0.02 -0.02 -0.02 -0.04 -0.03 0.02 -0.04 -0.02 -0.01 -0.05 -0.00 0.01 -0.02 -0.01 -0.01 -0.02 0.00 -0.02 0.03 0.03 -0.09 0.11 -0.00 -0.05 0.05 -0.01 0.00 -0.09 -0.19 -0.01 -0.24 -0.29 -0.02 -0.28 -0.08 0.14 0.15 0.07 0.15 -0.09 0.04 0.28 -0.05 -0.05 0.04 0.11 -0.10 -0.12 0.08 -0.08 -0.20 -0.13 -0.11 0.10 0.10 0.02 -0.08 0.03 0.05 -0.12 0.01 0.05 -0.13 0.02 0.03 -0.02 0.06 0.05 -0.00 0.02 0.00 0.03 0.04 0.03 0.00 0.19 0.06 -0.35 -0.28 -0.06 0.37 0.19 0.07 -0.34 -0.26 -0.05 0.37 0.02 -0.03 0.02 -0.01 -0.07 0.03 0.00 -0.03 0.00 0.04 -0.03 -0.02 0.02 -0.02 0.04 -0.10 -0.03 -0.02 0.04 -0.02 0.01 0.04 -0.03 -0.03 0.01 -0.04 0.03 0.03 -0.00 -0.03 -0.01 0.01 -0.00 0.04 0.02 -0.00 -0.01 0.01 -0.02 0.04 0.02 -0.10 -0.08 -0.01 0.09 0.04 0.03 -0.10 -0.09 -0.01 0.09 -0.02 0.01 -0.02 0.00 0.00 -0.06 0.08 -0.05 -0.03 0.01 -0.02 0.04 -0.08 -0.03 -0.01 -0.15 -0.10 -0.09 -0.18 0.02 0.03 0.10 -0.02 0.02 0.02 -0.03 0.06 0.04 -0.02 -0.03 0.05 -0.04 -0.04 -0.03 0.03 0.03 -0.01 0.04 -0.02 0.03 -0.02 -0.06 -0.01 0.01 -0.08 -0.00 0.01 -0.07 -0.04 -0.05 0.01 -0.06 -0.04 -0.00 -0.03 -0.00 -0.03 -0.05 -0.03 -0.01 0.13 -0.06 -0.06 0.04 -0.05 0.02 0.09 -0.01 -0.08 0.08 -0.03 0.02 0.01 0.28 -0.01 -0.08 -0.05 -0.15 -0.04 0.06 0.04 -0.07 0.08 0.03 -0.04 0.09 -0.08 0.15 -0.02 0.09 -0.18 0.09 0.07 -0.05 0.04 0.02 -0.04 0.11 -0.10 -0.04 0.01 0.02 0.02 -0.00 -0.00 -0.04 -0.02 -0.00 0.00 -0.05 0.04 0.06 -0.04 0.01 0.02 -0.05 0.03 0.05 -0.03 -0.00 0.06 -0.03 0.03 0.04 -0.03 0.04 0.01 -0.03 0.11 -0.15 0.14 0.04 0.01 0.08 -0.11 0.16 -0.07 0.03 0.20 0.04 0.25 0.25 -0.11 0.04 -0.16 0.13 0.07 -0.26 0.18 0.09 -0.25 -0.02 0.07 -0.06 0.05 0.02 0.14 -0.08 -0.17 -0.05 -0.10 0.10 -0.05 -0.01 0.10 0.03 -0.04 0.14 0.01 -0.03 0.14 -0.08 -0.08 0.02 -0.07 -0.06 0.00 -0.03 0.00 -0.04 -0.05 -0.04 -0.01 0.08 -0.02 -0.11 0.05 -0.00 -0.11 -0.11 -0.03 0.16 -0.09 -0.03 0.18 0.09 0.14 0.05 0.04 0.06 0.05 0.03 0.02 -0.00 0.01 0.01 0.01 0.02 0.01 0.03 0.01 0.07 -0.01 0.13 0.01 -0.01 -0.03 0.02 0.00 0.05 0.07 0.05 -0.04 0.01 0.02 0.03 0.02 -0.03 -0.04 -0.02 0.00 0.04 -0.01 -0.07 0.02 -0.01 -0.04 0.02 -0.01 -0.04 -0.04 -0.01 0.04 -0.03 -0.02 0.05 0.00 -0.00 -0.00 0.15 0.04 -0.23 0.02 -0.00 0.00 0.01 0.01 0.04 -0.08 0.08 0.01 0.04 0.14 -0.05 0.04 0.02 -0.01 0.02 -0.01 -0.02 0.25 -0.11 -0.07 0.22 0.14 0.07 -0.05 0.03 0.01 0.06 -0.02 -0.11 -0.07 -0.02 0.04 0.38 -0.02 -0.19 0.11 0.09 -0.35 0.10 0.09 -0.35 -0.06 -0.03 0.03 -0.06 -0.04 0.01 -0.05 -0.05 0.01 0.01 0.02 -0.06 -0.09 -0.03 0.08 -0.13 -0.03 0.07 0.01 0.03 -0.10 0.03 0.01 -0.08 0.08 0.18 0.09 0.09 0.09 0.05 0.05 -0.01 -0.03 0.04 -0.03 -0.02 0.03 -0.02 0.01 0.08 0.05 -0.04 0.19 -0.04 -0.05 0.05 -0.06 -0.02 0.07 0.08 0.05 0.03 -0.06 -0.00 0.00 0.02 0.01 -0.01 -0.04 -0.01 -0.01 -0.02 -0.01 -0.03 -0.02 -0.01 -0.04 -0.01 -0.01 -0.01 0.01 -0.05 0.00 0.00 -0.05 -0.01 0.01 -0.04 -0.10 0.00 0.10 0.04 -0.04 -0.02 0.03 -0.02 0.01 -0.10 0.06 -0.03 0.18 0.25 -0.04 0.21 -0.10 -0.04 -0.02 -0.07 -0.08 0.39 -0.22 -0.18 0.33 0.17 0.10 0.07 -0.09 -0.03 0.06 -0.03 -0.09 -0.11 -0.03 0.09 -0.23 0.04 0.08 -0.07 -0.03 0.18 -0.08 -0.02 0.17 -0.04 0.01 -0.04 0.05 0.05 -0.02 -0.02 -0.03 0.04 0.03 0.03 -0.02 -0.00 0.01 -0.03 -0.00 0.01 -0.03 -0.02 0.00 0.01 -0.02 0.00 0.01 0.00 -0.04 0.07 0.03 -0.03 0.06 -0.00 0.01 0.02 0.01 -0.00 0.02 -0.00 0.00 0.04 0.15 0.04 0.04 -0.11 -0.01 -0.03 0.01 -0.04 -0.04 0.01 -0.03 0.06 0.02 -0.03 -0.06 -0.02 -0.01 0.04 0.02 -0.01 -0.02 -0.00 0.00 0.00 -0.01 0.00 -0.01 -0.00 0.01 -0.01 -0.01 0.01 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.02 0.02 0.02 0.02 -0.02 0.02 0.06 -0.20 0.02 -0.01 0.36 0.44 0.12 0.44 -0.30 0.03 0.06 -0.04 0.00 -0.27 0.16 0.04 -0.23 -0.18 -0.19 0.01 -0.07 -0.05 -0.05 -0.00 0.05 -0.03 -0.00 0.04 0.02 0.00 -0.02 -0.01 0.01 -0.03 -0.00 0.01 -0.03 0.03 -0.06 -0.06 0.03 0.04 -0.01 0.11 0.15 -0.12 -0.13 -0.13 0.16 -0.08 -0.01 0.08 -0.10 -0.02 0.07 -0.04 0.01 0.02 -0.03 -0.01 0.03 0.11 0.05 0.06 0.11 0.01 0.06 0.04 -0.07 -0.01 0.05 -0.07 0.00 0.05 -0.07 0.02 0.08 -0.08 -0.00 -0.13 -0.08 -0.06 -0.08 0.09 0.02 0.09 -0.01 0.05 -0.14 0.18 0.03 0.04 0.02 -0.02 -0.06 0.09 0.02 0.05 0.00 -0.09 0.02 -0.00 -0.06 0.02 0.01 -0.06 0.02 0.02 -0.07 0.02 0.01 -0.07 0.03 0.02 -0.08 -0.04 0.01 0.02 0.07 -0.08 -0.00 0.06 -0.04 0.04 0.26 -0.08 0.01 0.01 -0.23 0.06 0.01 0.04 -0.06 0.05 -0.10 -0.02 -0.34 0.15 0.02 -0.29 -0.31 -0.22 -0.16 0.15 0.05 0.03 0.01 -0.05 -0.04 0.02 0.01 -0.13 0.04 0.01 -0.02 -0.01 0.08 -0.02 -0.01 0.07 0.13 0.11 -0.07 0.07 0.06 -0.01 -0.01 -0.02 0.06 -0.05 -0.08 0.11 0.05 -0.01 -0.09 0.03 0.00 -0.10 0.01 0.02 -0.06 0.03 0.00 -0.05 -0.02 0.12 0.08 0.02 0.08 0.02 -0.03 -0.08 -0.04 -0.05 -0.07 -0.02 -0.06 -0.09 -0.04 0.06 -0.06 -0.03 0.00 -0.11 -0.08 -0.05 -0.03 0.01 -0.03 0.03 0.01 -0.06 0.01 -0.02 -0.03 0.02 0.08 -0.03 -0.00 0.01 -0.07 -0.03 0.09 -0.05 -0.02 0.06 -0.05 -0.02 0.06 -0.06 -0.01 0.07 -0.05 -0.02 0.07 -0.06 -0.02 0.09 0.02 0.01 -0.03 -0.07 -0.07 -0.02 -0.06 -0.10 -0.05 0.09 -0.06 -0.02 0.08 -0.04 0.04 0.10 -0.07 -0.09 -0.40 -0.16 -0.14 0.29 -0.30 -0.37 0.17 0.11 0.24 -0.05 -0.01 0.01 0.03 -0.01 0.03 -0.08 0.00 0.11 0.13 -0.02 -0.01 -0.00 0.04 -0.09 -0.01 0.04 -0.09 0.08 0.09 -0.05 0.03 0.02 -0.00 -0.07 -0.08 0.09 -0.04 -0.06 0.06 0.01 -0.05 0.09 0.01 -0.02 0.10 -0.03 -0.04 0.10 -0.02 -0.01 0.11 -0.02 0.03 -0.07 -0.12 0.05 0.00 -0.06 0.00 0.01 -0.06 0.00 0.01 -0.05 -0.00 0.01 -0.06 0.05 -0.00 0.02 0.00 0.01 -0.05 -0.02 -0.00 -0.05 0.02 -0.02 -0.04 -0.04 -0.03 0.00 0.02 -0.06 -0.04 -0.04 0.01 0.06 0.02 -0.11 0.08 0.01 -0.09 0.08 0.00 -0.09 0.09 -0.00 -0.11 0.10 0.02 -0.10 0.12 0.01 -0.13 0.01 -0.02 0.05 -0.05 0.00 0.01 -0.05 -0.01 0.01 -0.47 0.04 -0.04 0.12 0.43 -0.06 0.16 -0.27 0.08 -0.12 -0.00 -0.01 0.16 -0.13 -0.07 0.12 0.13 0.14 -0.05 -0.03 -0.01 -0.00 0.02 -0.06 -0.00 0.02 -0.06 -0.16 0.03 0.02 0.04 -0.05 0.14 0.04 -0.05 0.14 -0.04 -0.01 -0.02 0.03 0.03 -0.02 -0.01 -0.02 0.02 0.03 0.02 -0.02 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.01 0.02 -0.01 -0.00 0.02 -0.00 -0.02 0.02 -0.02 -0.02 0.02 0.00 0.01 0.02 -0.00 0.01 0.04 0.00 0.01 0.03 0.07 0.03 0.04 -0.06 -0.01 -0.02 -0.01 -0.01 -0.00 -0.01 -0.01 0.02 0.01 -0.02 -0.04 -0.01 -0.01 0.01 0.02 -0.00 -0.02 0.01 0.00 -0.02 0.01 0.00 -0.02 0.01 0.00 -0.02 0.02 0.00 -0.02 0.02 0.00 -0.02 0.02 0.00 -0.03 -0.00 -0.00 0.01 0.00 0.02 0.04 0.00 0.03 0.03 0.49 0.07 0.11 -0.10 -0.32 0.11 -0.12 0.35 -0.11 -0.43 -0.05 -0.08 0.17 -0.13 -0.30 0.06 0.13 0.28 -0.03 -0.01 -0.00 -0.03 -0.00 0.01 -0.01 -0.01 0.01 -0.03 0.01 0.00 0.00 -0.01 0.02 0.01 -0.01 0.02 0.06 0.06 0.02 -0.03 -0.06 0.02 -0.08 -0.09 0.08 -0.00 -0.02 -0.01 -0.02 0.02 -0.02 -0.03 0.00 -0.03 -0.04 -0.00 0.04 -0.03 -0.01 0.04 -0.00 -0.01 0.13 0.22 -0.05 -0.05 -0.00 0.04 -0.04 -0.09 0.09 -0.06 -0.07 0.01 -0.11 0.04 -0.04 -0.01 0.02 0.07 0.02 -0.03 0.05 -0.01 0.04 -0.02 -0.01 0.01 -0.06 0.01 -0.03 -0.01 0.10 -0.02 -0.07 0.02 0.00 -0.01 0.01 0.01 0.00 -0.04 0.01 0.01 -0.04 0.02 0.02 -0.05 0.02 0.00 -0.06 0.03 0.02 -0.08 -0.02 0.01 -0.00 -0.15 0.14 -0.05 -0.13 -0.03 -0.13 0.39 -0.05 -0.01 -0.11 -0.36 0.07 -0.13 0.20 -0.08 0.32 0.11 0.07 -0.16 0.17 0.25 -0.08 -0.05 -0.22 0.01 0.09 -0.01 -0.05 -0.01 0.10 -0.07 -0.00 0.11 -0.10 0.03 -0.01 -0.01 -0.01 0.04 -0.01 -0.01 0.04 -0.01 0.03 -0.05 0.02 0.01 -0.02 -0.08 -0.08 0.06 -0.04 -0.06 0.02 0.00 -0.01 0.01 0.00 -0.01 0.02 0.02 0.01 -0.03 0.02 0.00 -0.03 0.03 0.02 -0.07 -0.06 0.04 0.03 0.06 0.01 0.03 0.03 0.00 0.05 0.05 -0.01 0.05 0.04 0.10 0.02 0.07 -0.01 -0.01 -0.03 -0.00 -0.01 0.01 0.01 0.01 -0.02 -0.03 -0.04 0.04 0.03 -0.07 -0.03 -0.04 -0.01 0.01 0.00 -0.02 -0.01 -0.01 0.02 -0.01 -0.01 0.02 -0.02 -0.01 0.04 -0.02 -0.01 0.04 -0.03 -0.01 0.06 0.01 0.00 -0.00 0.06 0.01 0.05 0.06 -0.00 0.05 0.32 0.16 0.12 -0.10 -0.16 -0.02 -0.14 0.38 -0.08 0.45 -0.02 0.07 -0.19 0.18 0.24 -0.08 -0.20 -0.35 -0.07 -0.00 0.00 0.06 0.03 -0.05 0.05 0.04 -0.08 0.07 -0.01 0.01 0.00 0.01 -0.03 -0.00 0.02 -0.04 -0.01 -0.01 0.04 0.03 -0.00 -0.00 0.06 0.03 -0.02 0.09 0.10 -0.07 0.03 -0.07 -0.00 0.05 -0.04 0.01 -0.06 0.00 0.00 0.01 -0.02 0.04 -0.07 0.07 0.03 -0.11 0.10 0.05 0.01 -0.06 -0.01 -0.06 -0.00 -0.01 -0.08 -0.13 -0.02 0.03 -0.03 -0.02 0.04 -0.11 -0.08 -0.02 0.04 0.04 -0.09 -0.00 0.01 0.03 -0.00 0.01 -0.03 0.14 0.07 0.06 0.02 -0.01 -0.04 -0.02 0.01 -0.00 -0.02 -0.02 0.00 -0.04 -0.02 0.02 -0.02 -0.05 0.03 -0.01 -0.04 0.05 -0.01 -0.06 0.02 0.05 0.03 -0.10 0.00 -0.00 -0.11 -0.18 -0.05 0.18 -0.01 0.02 -0.03 -0.15 0.00 -0.04 0.09 -0.08 0.37 -0.16 -0.01 -0.18 0.06 0.11 -0.08 -0.26 -0.40 -0.02 0.06 0.04 0.06 0.19 0.24 -0.05 0.29 -0.04 -0.05 0.07 0.02 0.09 0.05 0.09 -0.01 0.08 0.07 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.08 0.06 -0.04 0.07 -0.01 0.05 -0.00 -0.09 -0.03 -0.03 -0.08 -0.03 0.01 -0.01 -0.00 0.02 -0.02 -0.01 -0.00 0.01 0.00 0.01 0.00 0.00 0.01 0.02 0.00 -0.01 0.01 0.00 -0.01 0.02 0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.02 -0.01 -0.00 -0.02 -0.00 -0.03 -0.06 -0.02 -0.01 -0.07 -0.01 -0.02 -0.04 -0.00 0.07 0.31 0.09 0.01 0.00 0.00 0.01 0.03 0.01 -0.03 0.00 -0.00 0.00 0.03 -0.00 0.01 -0.02 0.01 -0.07 0.03 0.00 0.03 -0.01 -0.02 0.01 0.04 0.07 0.00 -0.01 -0.01 0.03 0.03 0.04 0.01 0.05 -0.03 0.07 0.27 0.08 0.41 0.42 0.15 -0.18 0.56 0.14 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.10 0.01 -0.05 -0.08 -0.06 -0.06 0.00 0.00 -0.01 0.18 0.00 0.10 0.02 -0.04 -0.02 0.02 -0.04 -0.01 -0.00 0.02 0.01 0.01 0.01 0.01 0.01 0.02 0.01 -0.03 0.03 0.01 -0.04 0.04 0.03 -0.00 0.00 -0.00 0.02 -0.02 -0.01 -0.00 0.00 -0.00 0.10 0.23 0.05 -0.01 -0.00 -0.00 0.02 -0.04 -0.01 -0.03 -0.06 -0.03 0.00 -0.04 -0.01 -0.00 -0.00 0.01 -0.01 -0.03 0.01 -0.03 -0.00 0.01 -0.03 -0.02 -0.02 0.01 0.01 0.01 0.01 0.03 0.02 -0.11 0.02 0.00 -0.00 0.08 -0.02 -0.00 -0.02 0.04 -0.16 0.06 0.00 0.04 -0.01 -0.05 0.00 0.08 0.16 -0.01 -0.00 -0.00 0.19 0.36 0.44 0.12 0.56 -0.22 0.00 0.01 -0.01 -0.07 -0.05 -0.01 -0.00 -0.05 -0.07 0.01 0.00 -0.01 -0.02 -0.01 0.01 -0.02 -0.01 0.01 -0.02 -0.03 0.02 0.11 -0.16 0.08 0.19 -0.06 0.13 -0.27 0.27 -0.15 -0.17 -0.01 -0.14 0.04 -0.06 0.01 0.10 -0.08 -0.02 -0.01 0.04 -0.00 0.02 0.02 -0.01 0.02 0.05 -0.00 -0.01 0.00 0.00 -0.04 0.07 0.04 0.01 0.00 -0.02 0.05 -0.03 0.01 -0.00 0.00 0.00 0.04 0.18 0.01 -0.02 -0.01 0.01 -0.01 -0.00 -0.08 0.00 -0.00 -0.01 0.01 -0.08 -0.02 -0.03 -0.04 0.01 -0.02 0.02 0.03 0.02 -0.04 0.08 0.06 -0.05 0.02 0.03 0.02 -0.01 0.01 0.07 0.02 -0.08 -0.02 -0.03 0.01 0.05 0.00 0.02 -0.06 0.04 -0.21 0.10 0.00 0.06 -0.01 -0.06 0.01 0.13 0.21 0.02 -0.00 -0.02 0.08 0.28 0.31 0.04 0.43 -0.18 0.13 -0.04 0.03 0.01 -0.06 -0.01 0.07 -0.06 -0.05 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 0.01 -0.22 0.21 -0.12 0.27 0.00 0.17 -0.21 0.16 -0.09 0.26 -0.01 0.17 -0.02 0.03 0.01 -0.02 0.02 0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 0.02 -0.01 -0.00 0.03 -0.02 -0.02 0.01 -0.02 -0.00 -0.01 0.03 0.00 -0.00 0.00 0.00 -0.07 -0.19 -0.03 -0.00 0.00 0.00 -0.02 -0.02 0.02 -0.02 -0.04 -0.02 -0.01 -0.04 -0.00 -0.02 -0.04 -0.03 0.01 -0.05 -0.02 0.00 -0.01 -0.03 -0.03 -0.11 -0.03 0.01 -0.02 -0.01 0.01 0.00 -0.00 0.06 -0.01 -0.00 0.01 -0.04 0.02 0.01 0.01 -0.02 0.10 -0.03 -0.00 -0.01 0.00 0.03 0.01 -0.03 -0.09 0.02 -0.02 -0.01 -0.10 -0.29 -0.31 -0.10 -0.41 0.15 -0.04 -0.01 -0.01 -0.15 -0.19 0.02 0.06 -0.20 -0.10 0.01 -0.02 -0.02 -0.04 0.04 0.01 -0.01 0.05 -0.05 -0.08 -0.08 0.08 0.03 0.01 -0.04 0.00 -0.01 -0.07 -0.04 0.02 0.04 -0.06 -0.02 0.02 -0.10 -0.02 0.01 -0.11 0.00 -0.02 0.01 0.04 -0.06 0.13 -0.10 -0.03 0.07 0.11 0.04 0.09 0.00 -0.04 0.08 0.10 0.03 0.15 -0.17 -0.08 -0.05 0.05 -0.01 0.01 -0.00 -0.01 -0.04 0.03 0.13 -0.04 0.02 0.01 -0.09 -0.03 0.17 -0.03 -0.01 0.05 -0.03 -0.02 0.06 0.05 0.01 -0.06 0.05 0.01 -0.07 0.10 0.02 -0.14 -0.00 -0.00 0.03 0.21 -0.15 -0.06 0.16 0.20 0.08 0.26 -0.00 -0.05 0.05 -0.10 0.07 0.07 0.09 -0.12 0.22 0.19 0.04 0.03 0.05 0.20 0.08 0.11 -0.04 0.22 -0.26 -0.11 0.02 0.06 0.23 0.03 0.11 0.04 -0.18 0.05 -0.00 0.04 -0.04 0.12 0.02 -0.03 0.12 0.01 0.02 -0.01 -0.06 -0.07 0.04 0.00 -0.01 0.02 0.00 0.00 0.01 0.03 -0.13 0.03 0.07 0.06 0.09 0.06 -0.11 -0.01 0.10 0.07 0.04 0.01 -0.02 0.05 -0.11 -0.01 0.13 -0.02 0.06 -0.16 0.04 -0.00 -0.11 0.00 0.04 0.04 0.10 -0.16 -0.12 0.00 0.16 -0.03 0.01 0.04 -0.06 -0.01 -0.03 0.11 0.00 -0.00 0.00 -0.06 0.03 -0.03 -0.00 -0.02 0.03 -0.00 0.04 -0.12 -0.02 0.00 -0.06 -0.01 0.04 -0.05 -0.07 -0.00 0.01 -0.06 0.02 0.02 -0.11 0.01 0.05 -0.07 0.03 -0.05 0.17 -0.13 -0.15 -0.04 0.16 0.14 0.26 -0.26 -0.27 0.09 -0.25 0.12 0.13 -0.20 -0.12 0.00 0.29 -0.05 0.00 0.10 0.06 0.01 0.16 0.05 0.02 0.08 -0.06 -0.11 0.05 -0.01 -0.11 0.05 -0.03 0.03 0.01 -0.04 -0.09 0.05 -0.10 -0.09 0.05 -0.10 0.00 0.03 -0.01 -0.04 -0.10 0.04 0.01 -0.04 0.06 0.04 0.04 -0.02 -0.08 0.22 -0.01 -0.15 -0.12 -0.11 -0.04 0.15 -0.00 -0.10 -0.10 -0.08 0.05 0.01 -0.02 -0.19 0.03 0.13 0.01 0.03 -0.13 0.01 0.03 -0.06 0.01 -0.02 0.05 0.05 -0.15 -0.11 -0.03 0.10 -0.04 -0.08 0.14 -0.01 -0.01 -0.03 0.07 -0.01 0.01 -0.00 0.08 -0.03 -0.01 0.02 -0.03 0.02 0.09 -0.03 0.02 0.08 0.01 0.04 0.06 -0.06 0.01 0.08 -0.02 0.05 0.07 -0.05 0.04 0.12 -0.05 0.08 0.15 -0.06 0.09 0.12 -0.10 -0.10 -0.04 0.07 0.13 0.08 -0.24 -0.24 0.06 -0.17 0.03 0.08 -0.23 -0.04 -0.09 0.19 -0.07 -0.03 0.10 -0.03 -0.04 0.07 0.06 -0.14 0.23 0.02 0.10 -0.05 -0.04 0.09 -0.07 0.02 0.18 -0.07 0.09 0.15 -0.06 0.07 0.15 -0.06 0.07 0.03 -0.07 0.27 0.33 0.30 -0.26 -0.27 -0.04 -0.06 -0.11 -0.17 -0.19 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 -0.03 0.00 0.03 -0.00 0.04 -0.09 0.00 -0.01 0.03 0.02 0.04 0.02 0.00 -0.16 -0.07 0.02 0.08 -0.06 -0.02 0.08 0.15 -0.00 0.00 0.02 0.03 0.01 0.09 -0.00 0.00 0.00 -0.04 0.00 -0.14 0.01 0.00 -0.01 0.01 0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.01 -0.00 0.00 0.02 -0.15 0.00 0.06 0.15 0.08 -0.03 -0.27 -0.24 0.02 -0.15 0.03 0.04 -0.29 0.06 0.03 0.09 -0.06 0.03 0.05 -0.03 0.03 0.09 -0.06 -0.02 0.17 0.16 -0.01 0.00 0.01 -0.01 0.01 0.00 0.02 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.03 -0.01 0.05 0.00 0.07 -0.00 0.02 0.05 -0.07 -0.02 -0.02 0.03 -0.03 0.05 0.03 -0.05 -0.04 0.01 0.01 0.01 -0.01 0.01 -0.01 -0.02 -0.01 0.01 0.05 -0.03 0.01 0.03 -0.08 -0.05 -0.03 -0.07 -0.03 -0.10 -0.11 -0.09 -0.07 0.05 0.15 -0.04 -0.02 0.04 0.13 0.09 -0.14 -0.07 -0.04 -0.04 0.02 0.01 -0.04 0.01 -0.03 -0.00 -0.00 -0.01 0.02 -0.00 0.07 0.02 -0.12 0.06 0.03 -0.06 0.06 -0.01 -0.08 -0.00 -0.02 0.04 0.00 -0.01 0.04 -0.03 -0.03 0.13 0.06 -0.02 0.02 -0.12 0.03 -0.08 -0.20 -0.15 -0.09 0.18 0.27 0.16 0.04 0.13 -0.02 0.06 0.30 -0.28 0.06 0.22 0.11 -0.05 -0.04 0.31 -0.02 0.04 0.18 0.22 -0.17 -0.10 -0.08 -0.01 -0.03 -0.08 -0.02 0.03 0.20 -0.06 0.04 0.03 0.01 -0.06 0.04 0.01 -0.06 0.00 0.01 0.02 0.03 -0.03 -0.01 -0.01 -0.02 0.03 0.01 0.01 -0.04 0.02 -0.03 -0.02 0.04 0.04 -0.00 -0.01 0.00 0.01 -0.01 -0.00 0.01 0.06 0.03 -0.02 -0.01 0.01 0.04 0.08 -0.08 -0.06 0.03 -0.05 -0.05 0.02 -0.15 -0.02 0.01 0.11 -0.11 -0.09 0.06 0.15 -0.05 0.08 0.01 0.03 -0.07 0.00 -0.02 0.02 0.01 0.05 -0.02 -0.02 0.00 -0.01 -0.00 -0.04 -0.02 0.10 -0.05 -0.03 0.06 -0.05 0.01 0.07 -0.00 0.02 -0.02 -0.00 -0.00 -0.03 0.02 0.03 -0.11 -0.06 0.02 -0.02 0.07 -0.08 -0.06 -0.02 -0.16 -0.01 -0.07 0.22 0.07 0.03 0.18 -0.29 0.00 0.17 -0.19 -0.22 0.34 0.08 -0.11 0.07 0.20 -0.14 -0.07 0.44 -0.08 0.17 0.04 0.09 -0.04 -0.06 0.06 -0.07 0.01 -0.17 0.05 -0.04 -0.04 -0.01 0.04 -0.03 -0.01 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.08 -0.02 0.13 0.08 0.02 -0.13 0.08 0.02 -0.13 -0.08 -0.02 0.13 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.25 0.07 -0.40 -0.25 -0.06 0.39 -0.26 -0.06 0.40 0.26 0.06 -0.40 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.00 0.01 -0.01 0.01 0.00 0.00 0.01 0.00 0.00 -0.01 0.01 -0.01 0.03 -0.00 0.05 -0.06 0.03 0.05 -0.08 0.02 -0.05 -0.02 -0.10 0.03 0.01 -0.01 -0.01 0.01 0.03 -0.00 -0.00 0.02 0.00 -0.00 -0.02 -0.00 0.06 -0.01 -0.02 -0.08 -0.01 0.08 0.10 0.03 0.09 -0.00 0.20 -0.14 -0.03 -0.04 -0.03 -0.03 -0.00 0.09 -0.04 -0.06 -0.08 0.12 0.06 -0.19 0.03 -0.03 0.05 0.08 -0.03 -0.01 0.06 -0.01 -0.03 0.01 -0.01 0.02 0.01 -0.01 0.04 -0.02 -0.02 0.04 -0.02 0.01 0.04 -0.00 0.02 -0.00 -0.00 -0.02 -0.01 0.00 0.01 -0.05 -0.03 0.01 -0.02 -0.02 0.41 -0.11 -0.25 -0.26 -0.11 -0.08 -0.02 0.05 -0.04 -0.02 -0.00 -0.08 -0.01 0.19 -0.19 -0.22 -0.07 -0.04 0.11 -0.33 -0.10 -0.15 -0.04 0.28 0.04 -0.22 0.07 -0.01 -0.03 0.07 -0.02 -0.03 -0.09 0.02 -0.02 -0.02 -0.00 0.01 -0.02 -0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 0.00 0.23 0.18 0.17 -0.11 0.32 -0.02 -0.23 -0.18 -0.18 0.11 -0.32 0.02 -0.00 0.01 0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.09 0.03 -0.00 0.00 -0.00 0.03 0.12 0.04 0.21 0.11 0.15 -0.13 0.25 -0.04 -0.21 -0.11 -0.15 0.13 -0.24 0.04 -0.03 -0.12 -0.04 -0.02 -0.11 -0.03 -0.00 -0.03 0.01 0.02 0.03 0.01 0.01 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.01 -0.01 0.02 0.01 0.00 0.01 -0.01 0.02 0.01 0.02 -0.01 -0.02 -0.01 0.01 0.03 0.14 0.16 0.05 0.20 -0.06 -0.03 -0.12 -0.04 -0.08 -0.12 -0.05 0.02 -0.15 -0.03 -0.00 -0.01 -0.01 0.03 -0.09 0.00 -0.06 0.01 0.08 -0.04 -0.05 -0.06 0.02 0.08 0.04 -0.02 -0.08 -0.01 -0.05 -0.12 -0.05 0.02 0.13 0.03 -0.11 0.01 0.07 0.01 0.02 -0.06 0.23 -0.03 0.04 0.15 0.02 -0.03 0.09 -0.05 -0.00 -0.02 0.02 -0.02 -0.04 -0.03 0.02 0.07 0.08 -0.06 -0.04 0.01 -0.04 -0.00 0.11 0.03 -0.18 0.03 0.07 -0.00 0.02 0.02 -0.09 0.04 -0.06 0.02 0.09 -0.03 -0.01 -0.06 -0.08 -0.03 -0.09 -0.04 0.02 0.10 0.02 0.05 -0.04 0.09 0.11 -0.05 0.06 0.18 0.07 -0.03 0.13 -0.13 -0.08 -0.20 0.05 0.02 -0.03 0.05 -0.30 -0.11 0.02 0.14 -0.23 -0.00 -0.02 -0.09 0.16 -0.17 -0.14 -0.23 0.20 0.09 0.07 -0.06 -0.21 0.03 0.07 -0.22 0.04 0.07 0.18 -0.07 0.07 0.10 -0.03 0.02 0.10 -0.03 0.02 0.00 0.01 0.02 -0.06 0.11 0.02 0.02 -0.02 -0.11 0.05 0.01 0.09 0.06 0.11 0.01 0.01 -0.11 -0.05 -0.07 -0.18 -0.07 0.01 0.21 0.04 0.11 0.00 -0.08 0.11 -0.05 0.08 -0.13 0.02 -0.03 -0.10 0.01 0.00 -0.06 0.00 0.03 0.01 -0.01 0.00 0.00 0.03 -0.00 -0.06 -0.01 0.03 0.06 -0.05 0.09 0.05 -0.14 -0.04 -0.01 0.06 -0.23 0.02 -0.04 -0.02 -0.15 0.04 -0.01 -0.10 0.10 0.17 -0.15 -0.12 0.10 -0.06 -0.13 -0.05 0.00 0.15 0.04 0.19 -0.01 -0.10 0.12 -0.05 0.08 -0.08 -0.03 -0.00 -0.13 0.05 0.09 0.12 -0.03 -0.02 0.03 -0.03 0.17 0.07 -0.02 -0.10 0.08 0.03 0.01 0.04 -0.07 0.08 0.06 0.13 -0.07 -0.11 0.07 0.05 -0.00 0.07 -0.22 -0.02 0.04 -0.22 -0.10 0.01 0.05 0.15 -0.10 0.20 0.16 -0.09 0.20 -0.04 0.02 -0.03 -0.15 0.20 0.07 -0.04 -0.05 -0.18 0.11 -0.06 0.16 -0.01 -0.01 0.01 -0.01 0.01 0.01 0.01 0.02 0.01 -0.00 -0.02 -0.00 -0.05 0.03 0.05 0.00 0.05 -0.04 0.20 0.01 -0.03 0.02 0.00 0.14 0.06 -0.08 -0.01 -0.02 -0.04 -0.10 -0.02 0.07 0.00 -0.06 0.05 0.13 -0.04 -0.03 -0.06 0.18 -0.21 -0.08 -0.04 -0.02 0.09 0.06 -0.08 -0.04 0.02 -0.00 -0.01 0.03 -0.00 -0.06 0.04 0.02 -0.05 0.01 0.01 0.00 0.00 -0.01 -0.01 -0.04 -0.01 0.05 -0.01 0.00 -0.01 0.00 -0.08 0.13 0.16 -0.02 -0.00 -0.20 -0.06 -0.15 -0.05 -0.04 -0.34 -0.13 -0.06 0.14 -0.14 0.17 -0.04 -0.08 0.19 -0.07 -0.11 -0.11 0.18 -0.26 0.16 0.20 -0.05 -0.03 0.05 -0.06 -0.03 0.11 0.07 -0.02 0.00 -0.02 0.02 -0.05 -0.02 0.02 -0.05 -0.00 0.02 0.01 -0.01 0.02 0.09 -0.08 0.02 -0.05 0.07 -0.07 -0.03 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.01 0.01 0.00 -0.01 0.00 -0.04 -0.02 -0.01 0.00 -0.03 -0.05 -0.15 -0.09 0.00 0.08 -0.07 -0.14 0.06 0.09 0.06 0.01 0.03 0.03 -0.01 -0.15 0.07 -0.06 0.18 -0.06 0.01 0.10 0.00 0.05 -0.04 -0.02 -0.02 -0.00 0.02 0.05 -0.02 0.03 -0.01 -0.00 0.01 0.01 -0.00 -0.02 0.01 0.01 -0.02 0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.02 0.00 -0.00 0.00 0.24 -0.14 -0.17 0.11 0.09 0.04 0.12 0.13 0.19 0.08 0.13 0.18 0.16 0.05 -0.26 0.07 -0.14 0.09 0.04 -0.26 0.16 0.06 -0.03 -0.01 -0.21 0.51 0.05 -0.02 0.01 0.06 0.00 0.03 -0.01 0.03 -0.01 0.01 -0.00 0.01 -0.02 -0.00 0.00 -0.02 -0.06 0.02 -0.19 0.17 -0.04 0.35 -0.24 0.27 -0.05 0.09 -0.23 -0.26 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.01 0.01 0.00 0.00 -0.01 -0.00 0.04 0.02 0.00 0.03 0.02 0.04 -0.04 0.04 -0.04 -0.10 0.00 0.14 -0.09 -0.08 -0.05 -0.01 -0.02 -0.04 0.00 0.09 -0.02 0.09 -0.11 0.18 -0.02 -0.09 0.01 0.06 0.05 0.10 0.02 0.01 -0.05 0.13 0.05 0.19 0.01 0.00 -0.02 -0.02 -0.01 0.03 -0.02 -0.00 0.03 -0.00 0.00 0.01 -0.01 -0.01 0.01 0.02 0.00 -0.03 0.00 -0.00 0.00 -0.29 -0.06 0.16 -0.10 -0.02 -0.00 -0.01 -0.07 -0.11 -0.02 -0.06 -0.01 -0.03 -0.05 0.03 0.05 0.12 -0.02 0.01 0.03 0.05 0.03 0.12 -0.03 0.17 -0.31 0.12 0.02 -0.00 -0.09 0.00 -0.02 -0.02 -0.05 0.01 -0.01 0.01 -0.01 0.03 0.01 -0.01 0.03 0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.15 -0.18 -0.14 -0.05 0.27 0.00 0.06 0.06 0.04 0.02 -0.09 -0.00 -0.03 0.01 -0.01 0.07 -0.02 0.01 0.03 0.00 0.00 0.02 -0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.01 0.01 -0.01 -0.02 -0.01 0.02 0.00 0.00 -0.00 -0.14 0.07 -0.11 -0.00 0.00 -0.00 -0.08 0.04 -0.08 -0.13 -0.08 -0.03 -0.08 0.13 0.04 0.02 0.02 0.03 0.00 -0.04 0.01 0.18 -0.05 0.03 0.31 -0.13 0.18 0.05 -0.01 -0.01 0.00 -0.01 0.02 -0.01 -0.00 -0.01 -0.00 -0.01 -0.02 -0.01 -0.00 0.01 -0.03 0.01 -0.01 -0.01 0.03 -0.02 -0.02 -0.02 0.03 0.00 0.00 -0.01 -0.18 0.08 -0.10 -0.19 0.07 -0.10 0.24 -0.11 0.17 0.32 -0.14 0.21 0.32 -0.14 0.21 -0.00 0.00 -0.01 0.01 0.00 0.01 0.00 0.01 -0.01 0.00 0.00 -0.01 -0.09 -0.09 -0.05 -0.04 0.13 0.02 -0.14 -0.13 -0.08 -0.06 0.20 0.02 0.09 -0.02 -0.02 -0.09 0.02 0.01 -0.05 0.00 -0.00 -0.04 0.02 0.01 0.01 0.01 -0.04 -0.01 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.02 0.02 0.06 -0.01 -0.02 -0.01 -0.01 0.01 0.23 -0.10 0.15 -0.00 -0.00 0.01 0.03 -0.08 0.23 0.03 -0.05 -0.12 0.06 0.09 -0.08 0.01 -0.05 -0.16 0.05 0.11 -0.11 -0.06 -0.04 0.19 0.10 -0.05 0.08 -0.10 0.05 0.02 -0.03 0.01 -0.02 0.01 -0.00 0.01 -0.00 0.01 0.05 0.01 -0.00 -0.01 0.04 -0.01 0.00 0.02 -0.04 0.03 0.03 0.05 -0.04 0.01 -0.04 0.01 0.35 -0.12 0.14 0.35 -0.12 0.12 0.40 -0.13 0.12 0.06 0.02 -0.09 0.06 0.01 -0.10 0.02 -0.03 -0.01 -0.10 0.13 0.05 -0.11 -0.24 -0.12 0.29 0.01 0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.02 -0.01 -0.00 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.01 0.01 0.02 -0.02 -0.01 0.00 0.01 0.00 -0.33 0.44 0.17 -0.00 -0.00 -0.00 0.09 -0.12 -0.05 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 -0.00 0.01 0.02 -0.00 0.01 0.01 0.00 0.00 -0.00 0.01 0.01 0.02 -0.02 0.01 -0.01 0.01 0.00 -0.02 0.02 0.01 0.00 -0.00 0.39 -0.50 -0.19 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 0.00 0.05 0.06 0.01 0.09 0.01 0.01 -0.06 0.00 0.03 -0.05 0.02 0.02 0.03 0.01 -0.04 0.01 0.03 0.04 0.06 0.01 -0.07 0.02 -0.03 0.07 -0.11 0.13 -0.01 0.02 0.03 0.07 0.02 0.06 -0.08 -0.01 -0.04 -0.11 0.10 -0.01 0.02 0.11 0.01 0.13 -0.07 -0.12 -0.04 -0.16 -0.05 -0.10 0.01 -0.13 -0.07 -0.05 -0.08 0.05 -0.11 -0.02 -0.04 0.05 -0.18 -0.00 0.15 0.01 0.03 -0.02 -0.00 -0.02 -0.03 0.12 0.05 -0.16 0.11 -0.00 -0.17 -0.14 -0.03 0.19 -0.03 0.01 0.00 0.27 -0.10 -0.05 -0.01 -0.05 0.14 0.01 -0.03 0.02 -0.03 -0.02 0.16 -0.03 0.00 0.18 -0.03 0.07 -0.07 0.00 0.19 -0.15 -0.01 0.10 -0.07 -0.16 -0.03 -0.15 0.01 0.03 -0.15 -0.03 0.01 -0.10 0.32 -0.09 0.06 -0.08 0.09 -0.19 -0.09 0.07 -0.19 -0.05 -0.01 -0.07 -0.14 -0.03 -0.19 -0.05 0.00 0.14 0.03 -0.10 0.10 0.02 0.02 0.02 0.01 -0.03 0.00 0.03 0.03 0.05 0.01 -0.06 0.02 0.01 0.03 -0.06 0.06 -0.01 0.05 -0.16 -0.01 -0.04 0.04 0.05 -0.01 -0.05 -0.07 -0.03 -0.02 -0.01 -0.01 -0.02 -0.03 0.02 0.25 0.10 0.22 -0.02 -0.07 0.04 0.26 0.17 0.06 -0.06 0.04 -0.10 0.06 0.09 -0.12 -0.13 0.00 0.09 -0.01 0.02 0.01 -0.02 -0.02 -0.00 0.09 0.04 -0.13 0.08 -0.00 -0.13 -0.10 -0.02 0.14 -0.02 0.00 0.01 -0.11 -0.08 -0.00 -0.14 -0.11 -0.02 0.07 0.01 0.03 0.03 0.05 0.17 0.10 -0.05 -0.18 0.04 -0.02 0.03 0.03 -0.15 0.10 0.05 0.09 -0.03 0.28 0.12 0.22 -0.01 0.03 -0.11 -0.04 0.02 -0.09 0.24 -0.07 0.04 -0.06 0.06 -0.13 -0.06 0.05 -0.14 -0.00 -0.00 0.01 -0.03 -0.01 -0.03 -0.02 -0.00 0.03 0.03 -0.03 0.02 -0.01 -0.02 -0.01 -0.01 0.01 -0.00 -0.02 -0.02 -0.03 -0.00 0.04 -0.01 -0.01 0.04 0.02 0.01 0.07 -0.04 -0.11 0.09 0.02 0.17 -0.15 -0.04 -0.06 -0.18 -0.02 -0.06 0.04 0.22 0.00 0.17 -0.10 0.02 0.05 -0.01 -0.06 -0.16 -0.09 0.04 0.04 -0.02 0.05 -0.02 0.07 0.02 0.02 -0.02 0.08 0.00 -0.03 0.01 -0.01 -0.02 0.03 0.02 -0.01 -0.06 -0.03 0.08 -0.06 -0.00 0.08 0.06 0.00 -0.09 0.01 -0.00 -0.01 0.27 -0.26 -0.08 -0.01 -0.13 -0.00 0.02 -0.00 0.16 -0.03 0.05 0.42 0.02 -0.02 0.18 0.03 0.05 -0.07 0.05 0.13 -0.13 0.06 0.28 -0.21 -0.11 0.20 0.06 0.04 -0.05 -0.01 0.04 -0.08 0.11 -0.14 0.05 -0.03 0.04 -0.03 0.08 0.02 -0.02 0.08 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.04 -0.01 0.07 0.04 0.01 -0.07 -0.05 -0.01 0.07 0.05 0.01 -0.07 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.26 0.07 -0.42 -0.26 -0.06 0.42 0.26 0.06 -0.41 -0.27 -0.07 0.41 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.03 -0.00 -0.02 0.02 -0.02 0.01 -0.00 0.01 0.00 0.02 0.00 0.01 -0.02 0.01 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 0.02 0.01 0.01 -0.01 0.00 0.05 -0.07 0.02 -0.07 -0.02 -0.05 -0.05 0.06 -0.02 0.07 0.01 0.05 -0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.02 0.02 0.01 0.02 0.02 0.01 -0.00 -0.03 -0.00 -0.02 0.01 -0.01 -0.01 -0.02 -0.01 -0.02 -0.01 -0.01 0.01 -0.03 0.01 0.05 0.01 0.01 0.01 -0.01 0.05 0.22 0.07 -0.12 0.14 -0.04 0.16 0.03 0.10 0.11 -0.14 0.05 -0.15 -0.03 -0.11 -0.05 -0.21 -0.06 -0.00 -0.01 -0.00 0.01 0.03 0.02 0.02 0.05 0.04 0.01 -0.00 -0.03 0.00 -0.01 -0.03 0.00 -0.00 -0.03 0.00 -0.01 0.01 0.00 -0.03 0.02 0.00 -0.01 0.01 -0.01 -0.05 -0.04 -0.25 -0.05 -0.35 0.17 -0.33 0.24 0.04 0.16 0.05 0.32 0.03 0.18 -0.26 0.25 -0.10 -0.04 0.02 -0.11 0.13 0.06 0.10 0.06 -0.19 -0.15 -0.18 0.15 -0.02 0.02 -0.01 -0.00 -0.00 -0.01 -0.02 -0.00 0.02 0.01 0.01 -0.01 0.02 0.04 -0.06 0.07 -0.09 -0.01 0.01 0.02 0.01 0.01 0.08 -0.07 -0.16 -0.00 0.01 -0.14 -0.03 0.02 0.13 0.01 0.04 -0.03 0.11 0.06 0.18 0.07 0.06 0.00 0.06 -0.05 0.25 -0.02 0.01 0.00 -0.12 -0.12 0.07 0.04 0.06 -0.09 -0.09 0.02 0.09 -0.04 -0.01 0.11 0.07 -0.01 -0.07 0.03 0.00 -0.11 -0.05 -0.05 0.05 -0.00 -0.01 0.01 -0.09 -0.09 -0.14 -0.08 -0.15 -0.23 -0.04 0.04 0.16 -0.01 0.06 0.13 -0.01 0.01 0.12 -0.01 -0.01 -0.02 0.01 0.08 -0.09 0.00 0.03 -0.06 0.19 0.39 0.24 -0.15 0.02 -0.03 -0.06 -0.03 0.04 0.11 -0.00 0.04 0.04 0.03 -0.01 -0.07 0.06 -0.07 -0.02 0.01 -0.06 0.06 0.03 0.05 0.03 -0.11 -0.08 -0.11 0.08 -0.00 -0.01 -0.01 0.03 -0.02 -0.01 0.03 0.02 0.02 -0.01 0.02 -0.01 -0.02 -0.04 0.06 -0.16 0.10 -0.05 0.06 -0.01 -0.00 -0.01 -0.00 0.07 -0.05 -0.02 -0.02 0.10 0.00 -0.02 -0.03 -0.01 -0.02 0.01 0.11 0.04 0.07 -0.02 -0.01 0.08 0.06 -0.01 0.14 -0.03 0.02 -0.05 -0.06 -0.06 0.04 -0.23 -0.03 0.33 0.17 0.06 -0.29 0.18 0.04 -0.28 -0.12 -0.04 0.21 -0.14 -0.04 0.20 0.09 0.01 -0.14 0.01 0.00 -0.02 0.03 -0.00 -0.07 -0.13 -0.09 0.08 0.05 -0.01 -0.02 0.02 0.00 0.03 0.05 -0.03 -0.09 -0.03 -0.01 0.00 -0.02 0.00 -0.00 -0.02 -0.05 0.04 0.27 0.08 0.05 0.13 -0.01 -0.08 0.13 -0.03 -0.07 -0.22 0.08 -0.05 0.07 -0.05 0.12 0.03 -0.02 0.11 0.00 0.00 0.01 -0.05 -0.01 -0.06 -0.02 0.08 0.06 0.11 -0.06 0.00 0.01 0.00 0.01 -0.01 -0.00 0.00 0.01 0.02 0.01 0.01 -0.01 0.00 0.02 -0.09 -0.01 -0.06 -0.10 0.04 0.15 -0.01 0.03 -0.04 -0.21 -0.13 -0.10 0.02 -0.15 0.00 0.02 0.12 0.04 0.10 -0.06 -0.08 -0.07 0.09 0.14 0.31 0.13 -0.04 -0.02 -0.01 -0.02 0.00 -0.05 0.04 0.04 -0.03 -0.09 0.01 0.08 0.01 0.03 -0.06 0.03 0.01 -0.05 -0.01 -0.01 0.03 -0.04 -0.01 0.01 0.00 -0.02 -0.02 0.01 -0.01 0.00 -0.28 -0.15 -0.08 -0.16 -0.20 -0.29 -0.08 0.02 0.12 -0.03 -0.00 -0.05 -0.10 0.05 0.26 -0.04 0.13 -0.08 -0.03 0.26 -0.14 -0.04 -0.04 0.01 -0.25 0.13 0.17 -0.03 0.03 0.03 0.02 0.04 -0.09 -0.01 0.02 0.00 0.05 -0.01 0.03 -0.02 0.03 -0.00 0.01 -0.00 0.02 0.00 -0.00 0.02 -0.00 0.01 -0.00 0.01 -0.00 -0.01 0.02 0.01 0.02 0.01 -0.03 0.01 0.05 0.04 0.04 0.03 -0.07 0.01 0.23 -0.06 0.12 -0.16 0.09 0.02 -0.12 -0.00 -0.02 0.04 0.04 0.08 0.20 0.04 -0.26 -0.02 0.02 0.05 -0.03 -0.02 0.00 -0.06 -0.01 -0.03 0.17 -0.19 -0.12 -0.04 -0.00 -0.07 -0.14 0.03 0.02 -0.00 -0.00 0.00 -0.22 0.03 0.08 -0.00 0.08 -0.08 -0.03 -0.01 -0.11 -0.04 0.02 0.02 -0.04 -0.01 0.01 0.00 0.00 -0.01 0.04 -0.01 0.02 -0.17 0.24 0.14 0.25 0.21 -0.17 -0.07 0.03 0.08 -0.02 0.04 0.02 -0.03 0.03 0.03 0.11 -0.06 0.04 0.07 -0.23 0.11 0.10 0.22 -0.14 -0.19 -0.02 -0.01 -0.18 0.04 0.01 -0.20 0.03 0.04 0.02 -0.01 0.02 0.04 -0.02 0.03 0.04 -0.02 0.03 -0.01 0.01 -0.02 -0.02 0.00 -0.04 -0.00 0.03 0.02 0.05 -0.02 -0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.06 0.02 0.03 0.06 0.07 0.16 0.04 0.01 -0.06 -0.14 -0.15 -0.09 0.31 -0.04 0.03 0.01 0.05 0.01 -0.10 0.07 0.00 -0.04 0.03 -0.10 -0.30 -0.06 -0.03 -0.03 0.08 0.05 0.03 -0.05 0.00 0.01 -0.00 -0.00 0.00 0.03 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.01 0.01 0.02 0.01 -0.00 0.01 -0.00 -0.08 -0.15 -0.15 -0.14 0.47 0.09 -0.11 0.01 0.05 -0.02 -0.04 -0.21 -0.11 0.06 0.25 -0.02 -0.17 0.08 -0.01 -0.00 -0.03 -0.03 -0.18 0.07 -0.08 0.31 0.13 0.02 -0.00 -0.13 0.03 -0.06 0.03 -0.01 -0.02 -0.01 -0.05 0.00 -0.03 0.03 -0.03 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.05 -0.07 -0.04 0.01 -0.10 -0.01 -0.05 -0.08 -0.04 0.01 -0.10 -0.01 -0.01 -0.03 -0.01 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.01 0.03 0.01 0.00 -0.00 -0.00 0.02 0.10 0.04 0.00 -0.00 -0.00 0.03 0.14 0.05 -0.01 0.05 -0.00 0.03 0.03 0.02 -0.02 0.06 -0.00 0.04 0.04 0.03 0.04 0.16 0.05 0.02 0.07 0.02 -0.01 0.01 0.00 0.01 -0.03 -0.02 0.00 0.00 0.01 0.00 0.00 0.01 0.01 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 0.01 -0.00 0.01 -0.02 -0.01 -0.28 -0.01 -0.38 0.20 -0.32 0.30 -0.04 -0.17 -0.05 -0.39 0.01 -0.20 0.33 -0.26 0.13 -0.00 0.00 -0.03 -0.02 0.02 -0.08 0.01 0.08 0.03 0.05 -0.02 -0.00 0.01 0.00 0.01 0.00 -0.01 0.00 0.01 0.01 0.01 0.01 -0.01 0.00 0.05 -0.00 -0.01 -0.01 0.02 -0.05 0.01 -0.08 -0.05 -0.12 0.06 -0.10 0.12 -0.01 0.14 -0.04 -0.01 0.09 0.03 0.05 -0.05 -0.08 0.04 0.04 0.02 -0.03 -0.05 -0.04 -0.14 0.16 -0.03 -0.01 0.07 -0.02 -0.04 0.02 -0.01 0.01 -0.02 -0.02 0.01 -0.00 -0.02 -0.00 -0.01 -0.01 0.01 -0.01 -0.02 0.00 -0.01 -0.01 0.00 -0.01 0.02 -0.01 0.01 0.09 -0.15 -0.17 0.14 -0.04 0.12 0.01 0.08 0.24 0.02 0.07 0.14 0.05 0.02 -0.11 -0.06 0.18 -0.09 -0.04 0.13 -0.04 -0.05 -0.10 0.08 0.58 -0.40 -0.18 -0.02 -0.01 0.05 -0.03 0.01 0.05 0.01 -0.00 0.01 0.02 -0.01 0.01 0.01 -0.00 0.01 -0.00 0.01 -0.01 -0.01 0.01 -0.03 -0.00 0.01 0.00 0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.02 0.00 0.00 -0.01 -0.01 -0.03 0.01 -0.06 0.08 0.01 0.06 -0.01 0.06 -0.01 -0.02 -0.01 0.01 0.04 -0.03 0.09 -0.15 -0.05 0.00 -0.01 -0.01 -0.06 0.01 0.08 -0.02 -0.01 0.04 -0.02 -0.00 0.02 0.00 0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.06 -0.01 -0.03 -0.18 -0.02 0.02 0.02 0.05 0.02 0.03 0.01 0.03 -0.02 -0.09 -0.01 0.05 -0.03 -0.00 0.05 -0.03 -0.01 0.01 -0.00 -0.49 0.74 0.28 -0.01 -0.01 0.03 -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 0.02 -0.00 -0.02 -0.01 -0.02 0.00 0.00 0.08 0.04 0.06 0.05 -0.10 0.02 0.07 0.03 0.05 0.04 -0.08 0.01 0.03 -0.04 0.11 -0.02 0.03 -0.09 0.02 0.05 0.02 -0.02 -0.02 -0.00 -0.11 -0.01 0.12 -0.01 0.02 -0.05 0.03 -0.03 0.03 0.03 -0.01 -0.00 -0.04 0.04 -0.05 0.02 0.04 -0.03 0.25 -0.07 0.02 0.02 0.02 -0.01 -0.08 0.03 -0.04 -0.14 0.10 -0.08 -0.16 0.03 -0.10 -0.15 0.12 -0.07 -0.18 0.01 -0.11 -0.11 0.05 -0.07 0.18 -0.08 0.11 0.14 -0.22 -0.06 -0.16 -0.08 0.08 0.09 -0.07 -0.19 -0.01 -0.03 0.14 0.05 -0.07 -0.00 -0.08 -0.05 0.02 -0.04 0.12 -0.06 -0.06 -0.17 0.07 -0.05 0.04 0.02 0.28 -0.07 0.05 0.29 -0.09 0.04 0.20 -0.08 0.11 0.18 -0.07 0.10 0.19 -0.08 0.10 -0.00 0.01 -0.03 -0.02 0.03 -0.12 0.01 0.09 0.03 0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.02 -0.01 -0.01 -0.01 -0.05 0.15 0.09 0.20 0.01 0.04 -0.07 -0.07 -0.06 0.03 0.04 -0.15 -0.04 -0.05 0.11 -0.05 0.01 -0.05 0.01 0.04 0.01 -0.09 -0.17 0.23 0.02 0.00 -0.03 -0.07 -0.09 0.09 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.19 0.25 0.08 -0.05 -0.04 -0.05 0.07 -0.15 -0.47 -0.03 -0.10 0.01 -0.00 -0.08 0.09 0.02 -0.44 0.19 0.07 -0.07 -0.09 0.04 0.13 -0.20 0.13 0.07 -0.06 0.01 0.01 -0.01 0.01 -0.00 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 -0.02 -0.02 -0.02 0.04 -0.00 -0.03 -0.01 -0.02 -0.01 0.02 -0.01 0.00 -0.11 0.38 -0.06 0.07 -0.16 0.01 -0.03 -0.00 -0.05 0.05 0.02 -0.01 -0.03 0.10 -0.04 -0.01 0.00 0.04 0.01 -0.02 0.03 -0.02 -0.03 -0.07 0.05 -0.08 -0.00 0.01 0.02 0.14 0.07 -0.39 0.00 0.00 0.01 -0.08 -0.01 0.13 0.07 -0.02 -0.00 0.08 -0.01 0.01 0.07 -0.06 0.03 0.08 0.00 0.05 0.06 -0.02 0.04 -0.09 0.04 -0.04 0.24 -0.25 -0.07 0.13 -0.05 0.04 0.07 0.03 0.07 0.02 0.06 0.14 0.08 -0.03 -0.17 -0.09 0.08 -0.05 -0.05 0.16 -0.06 -0.07 -0.17 0.09 -0.02 0.11 0.01 -0.09 0.15 -0.22 -0.09 0.02 -0.26 -0.05 0.02 -0.04 -0.11 0.05 -0.08 -0.08 0.03 -0.07 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 0.01 0.02 0.01 -0.00 0.02 -0.01 -0.06 0.06 0.01 -0.02 0.01 0.01 0.02 -0.01 0.03 -0.11 -0.03 -0.02 0.11 0.01 -0.01 0.02 -0.00 -0.02 -0.01 0.01 0.00 -0.01 0.00 0.04 -0.00 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.01 0.01 -0.05 0.11 0.04 0.04 0.02 -0.02 -0.12 0.20 0.46 0.09 0.12 -0.41 -0.01 0.14 -0.34 0.04 -0.29 0.09 0.10 0.10 -0.23 0.04 0.26 -0.32 0.06 -0.02 -0.02 0.04 -0.00 -0.02 0.04 -0.01 -0.01 0.02 -0.01 0.01 0.02 -0.01 0.01 0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.02 0.00 0.01 0.00 0.01 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.08 0.01 0.02 0.01 -0.02 0.03 0.00 -0.04 -0.07 -0.01 0.03 0.04 0.01 -0.06 -0.07 0.05 0.01 0.09 -0.05 -0.03 -0.07 0.02 0.01 -0.05 -0.03 0.04 0.04 -0.00 -0.02 0.05 0.07 -0.00 -0.04 -0.01 -0.01 0.03 0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.02 0.02 -0.01 -0.02 -0.00 -0.01 -0.02 0.01 -0.01 0.02 -0.01 0.01 0.03 0.11 0.04 0.27 0.44 0.19 -0.17 0.02 0.11 -0.03 -0.07 -0.22 -0.15 0.09 0.31 0.14 0.32 -0.10 0.00 -0.32 0.30 0.08 0.15 0.08 0.04 0.15 -0.03 0.07 -0.00 -0.03 0.06 -0.02 -0.02 0.03 -0.01 0.02 0.02 -0.01 0.01 0.02 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.08 -0.02 -0.03 -0.01 0.01 -0.03 0.01 0.05 -0.02 -0.07 0.04 -0.00 -0.09 -0.09 -0.02 0.02 -0.01 0.01 0.01 -0.01 0.07 0.03 -0.02 -0.02 0.02 0.05 -0.01 0.01 0.02 -0.00 -0.06 -0.00 0.05 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.01 0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 0.01 0.00 0.01 0.01 -0.00 0.01 -0.01 0.01 -0.01 0.29 -0.39 -0.13 0.20 0.56 0.35 -0.07 0.04 0.09 0.01 -0.00 -0.13 -0.05 0.06 0.03 -0.06 -0.29 0.11 0.02 0.13 -0.18 -0.03 -0.05 -0.11 0.02 0.10 0.01 -0.03 -0.01 0.03 -0.04 0.02 0.02 -0.02 0.00 -0.01 -0.02 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.00 0.01 0.03 0.03 0.03 -0.02 0.05 -0.00 -0.03 -0.03 -0.01 0.00 -0.01 0.01 -0.00 0.00 -0.01 0.01 0.02 0.00 0.01 -0.00 -0.03 -0.02 -0.00 0.00 0.02 -0.00 0.01 -0.00 -0.01 0.01 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.05 0.16 0.04 -0.00 -0.00 -0.00 -0.01 -0.04 -0.01 0.07 -0.08 0.03 -0.09 -0.01 -0.06 -0.07 0.02 -0.04 0.06 -0.04 0.03 -0.01 -0.02 -0.01 -0.02 -0.08 -0.02 0.03 -0.04 -0.01 0.08 0.06 -0.01 0.04 0.01 0.02 0.01 0.04 0.10 0.04 -0.02 -0.08 -0.05 -0.02 0.00 -0.02 0.08 -0.05 -0.03 -0.09 0.03 -0.02 -0.01 0.01 -0.21 -0.00 -0.49 0.13 -0.34 0.39 0.05 0.15 0.05 0.33 -0.02 0.15 -0.28 0.20 -0.10 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.01 0.00 0.01 0.01 0.01 -0.00 0.01 -0.00 0.10 -0.04 0.00 -0.02 0.03 -0.08 0.01 -0.01 0.05 -0.03 -0.08 -0.02 -0.06 0.01 0.15 0.10 0.01 -0.02 -0.08 0.02 -0.04 0.01 0.03 -0.02 0.01 0.02 -0.04 0.02 0.01 0.01 -0.03 0.04 0.04 0.02 0.02 0.00 -0.03 0.00 -0.00 0.02 -0.01 0.01 -0.02 -0.01 -0.02 -0.01 -0.01 -0.01 0.03 -0.00 0.02 0.02 -0.01 0.02 -0.02 -0.01 -0.02 -0.09 0.11 0.02 -0.29 -0.23 0.07 -0.15 -0.05 -0.12 -0.03 -0.15 -0.37 -0.16 0.07 0.34 0.18 0.07 0.00 0.07 -0.31 0.18 0.12 0.35 -0.13 0.09 0.05 -0.03 -0.10 0.00 -0.10 -0.00 -0.07 0.12 -0.04 0.06 -0.01 0.07 -0.01 0.04 -0.09 0.06 -0.02 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.01 -0.01 0.01 0.02 -0.01 -0.01 0.02 0.05 0.02 -0.11 -0.08 -0.02 0.13 0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.02 -0.01 0.00 0.02 0.01 -0.01 0.00 0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 0.00 0.00 -0.03 0.01 -0.00 -0.03 0.01 -0.00 0.67 -0.23 0.23 -0.09 0.24 -0.37 -0.13 0.06 -0.42 -0.00 0.00 -0.00 -0.01 0.00 -0.03 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.06 -0.02 -0.01 -0.00 0.01 -0.02 0.02 -0.03 0.03 0.05 -0.09 0.06 -0.11 0.01 0.02 -0.06 -0.04 -0.02 0.06 0.00 -0.05 0.02 0.04 -0.07 -0.01 0.01 -0.02 0.01 -0.01 0.04 -0.02 0.00 0.03 0.02 0.01 0.05 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.02 -0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 0.01 0.00 -0.32 0.49 0.21 -0.01 0.35 0.23 0.09 0.06 0.14 0.04 0.10 0.15 0.10 -0.04 -0.30 -0.06 0.26 -0.12 -0.08 0.14 0.03 -0.04 -0.19 0.20 0.05 0.11 -0.06 -0.00 -0.01 -0.01 0.00 -0.02 0.04 -0.00 -0.02 -0.01 -0.06 0.01 -0.03 0.02 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.05 -0.06 -0.04 0.02 -0.09 -0.00 -0.02 -0.03 -0.02 0.00 -0.04 -0.01 0.01 0.02 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.02 0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 -0.09 -0.02 0.00 -0.00 0.01 0.02 0.08 0.02 0.03 0.10 0.04 0.02 0.11 0.03 -0.05 0.11 -0.01 0.09 0.06 0.06 0.01 0.04 0.01 -0.03 -0.13 -0.04 -0.02 0.04 0.02 -0.01 0.04 0.02 0.01 0.01 0.03 0.01 0.01 0.01 0.01 -0.00 -0.04 -0.01 0.03 -0.02 -0.01 0.02 0.01 -0.01 -0.03 0.03 0.00 0.01 -0.01 0.05 0.02 0.29 0.01 0.18 -0.24 0.07 0.27 0.08 0.51 -0.03 0.21 -0.45 0.30 -0.13 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.02 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 0.01 0.00 -0.01 0.00 0.05 -0.01 -0.02 0.00 -0.00 0.00 -0.02 0.03 -0.02 0.08 0.07 0.08 -0.09 0.07 -0.04 0.02 -0.07 0.03 0.02 -0.05 -0.05 -0.00 0.00 -0.01 -0.03 0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.03 -0.03 -0.05 0.01 -0.02 0.01 -0.02 -0.00 0.02 0.00 -0.01 -0.01 -0.01 -0.00 -0.02 -0.00 0.01 0.01 0.01 0.02 -0.01 0.01 -0.02 0.01 -0.01 0.46 -0.35 -0.04 -0.32 -0.26 -0.21 -0.10 0.11 0.30 0.05 0.07 -0.24 -0.04 0.11 -0.14 -0.01 0.25 -0.11 -0.07 -0.07 0.17 -0.01 -0.13 0.19 -0.07 -0.09 -0.01 0.04 -0.02 0.01 0.06 -0.02 0.02 -0.01 -0.00 -0.01 -0.04 0.01 -0.02 -0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.04 -0.04 -0.03 -0.01 0.06 0.00 0.05 0.05 0.04 0.02 -0.08 -0.00 -0.08 0.02 -0.00 0.01 -0.01 0.03 0.01 -0.01 -0.01 -0.01 0.00 -0.04 0.05 -0.03 -0.01 -0.01 0.02 -0.00 -0.01 0.01 0.02 -0.00 -0.01 0.02 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.19 -0.08 0.09 -0.02 0.01 -0.03 -0.19 0.09 -0.15 -0.05 0.16 -0.00 -0.11 -0.10 -0.08 0.01 -0.16 -0.02 0.08 0.13 0.07 0.24 -0.09 0.11 -0.15 0.05 -0.05 -0.11 0.10 -0.01 0.12 0.08 0.04 0.03 -0.03 -0.08 -0.02 -0.01 0.09 0.01 -0.03 0.04 0.01 -0.10 0.04 0.03 0.00 -0.05 0.01 0.06 -0.07 -0.00 0.00 0.02 0.38 -0.11 0.11 0.37 -0.14 0.09 -0.03 0.02 -0.04 -0.23 0.10 -0.19 -0.23 0.12 -0.19 -0.00 -0.00 0.00 0.04 -0.05 0.00 0.02 -0.22 -0.09 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.01 0.01 0.03 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.02 0.02 0.03 -0.00 0.00 0.00 0.06 -0.08 -0.04 -0.01 0.00 -0.00 -0.55 0.65 0.20 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.10 -0.05 -0.03 -0.05 -0.00 0.01 -0.03 0.02 0.06 0.01 0.01 -0.06 -0.02 0.03 -0.01 -0.01 0.03 -0.02 -0.01 -0.01 0.02 -0.01 -0.03 0.04 0.12 -0.21 -0.06 -0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 0.00 0.02 -0.00 0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.05 0.01 -0.13 -0.02 -0.08 -0.05 -0.07 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.01 -0.01 -0.00 -0.01 0.04 0.08 -0.01 0.02 -0.11 -0.04 0.10 0.02 0.04 -0.05 -0.05 0.02 -0.01 -0.05 0.02 0.01 -0.00 0.03 -0.09 0.03 -0.01 0.00 0.01 -0.01 0.02 0.01 -0.01 0.01 0.26 0.12 0.36 -0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 -0.00 0.01 -0.01 0.00 -0.00 0.14 -0.56 -0.01 0.10 -0.25 -0.29 0.14 -0.03 -0.07 -0.00 0.05 0.20 0.09 -0.09 -0.10 0.10 -0.09 0.05 0.06 -0.14 0.04 0.05 0.18 -0.11 0.06 0.02 -0.11 0.01 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.09 0.06 -0.02 0.13 0.01 -0.09 -0.11 -0.07 0.03 -0.16 -0.01 -0.01 -0.02 -0.01 -0.00 -0.00 -0.00 0.02 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.06 0.02 -0.00 -0.00 -0.01 -0.04 -0.16 -0.05 -0.17 -0.08 -0.12 0.11 -0.19 0.04 0.16 0.15 0.13 -0.07 0.25 -0.00 0.04 0.16 0.05 -0.02 -0.10 -0.03 0.03 -0.02 -0.01 -0.03 -0.01 -0.00 0.02 0.01 0.01 0.01 0.02 0.03 0.02 -0.01 -0.03 0.02 0.01 0.00 0.01 -0.04 0.02 0.01 0.03 -0.01 -0.00 -0.01 0.00 0.08 -0.05 -0.26 -0.14 -0.12 0.21 0.06 0.25 0.08 0.40 0.00 0.15 -0.35 0.25 -0.08 -0.00 -0.00 0.00 0.01 -0.00 0.03 0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.02 0.01 -0.00 -0.01 0.00 -0.01 0.19 0.02 0.02 -0.01 0.02 0.00 -0.05 -0.01 0.00 -0.11 -0.02 -0.01 -0.12 -0.02 -0.02 0.01 -0.01 0.01 0.07 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.05 -0.01 -0.08 0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.14 -0.08 -0.03 -0.12 0.10 0.10 0.23 0.04 0.10 0.05 0.17 0.36 0.18 -0.12 -0.35 0.25 0.01 0.05 0.10 -0.41 0.19 0.14 0.38 -0.11 -0.01 -0.01 0.01 -0.04 0.01 0.02 -0.04 0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.03 -0.01 -0.01 -0.01 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.12 0.03 0.01 -0.03 0.02 -0.04 -0.03 0.03 -0.07 0.07 0.05 -0.04 -0.00 -0.03 0.05 0.02 -0.03 0.03 0.02 -0.02 0.02 -0.03 -0.05 0.06 0.24 -0.04 -0.04 -0.02 -0.01 -0.02 0.03 -0.00 -0.02 0.07 0.03 0.08 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.17 -0.01 -0.70 0.16 0.43 -0.09 0.05 0.15 0.02 0.00 -0.08 -0.06 0.07 0.03 -0.05 -0.03 0.00 -0.02 0.05 -0.02 -0.03 -0.10 0.04 -0.15 -0.12 0.07 -0.11 0.03 0.04 -0.12 0.01 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 0.04 0.01 0.02 0.02 0.02 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.11 0.03 -0.01 -0.03 0.00 0.02 -0.05 -0.07 0.04 -0.14 -0.12 0.20 -0.01 0.04 -0.03 0.02 0.03 -0.02 0.05 0.05 -0.00 0.07 0.13 -0.20 0.24 -0.05 -0.03 0.05 0.00 0.10 0.03 -0.00 -0.01 -0.11 -0.03 -0.15 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.55 0.13 -0.23 -0.10 -0.05 -0.02 -0.06 -0.16 -0.04 -0.10 -0.01 -0.01 -0.03 0.11 -0.10 -0.02 -0.02 -0.03 0.22 -0.09 -0.05 -0.12 0.01 0.24 0.22 -0.22 -0.11 0.03 0.04 -0.12 0.01 0.04 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.03 -0.01 -0.03 -0.00 -0.03 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.01 -0.01 -0.01 0.00 0.01 -0.05 -0.05 0.20 -0.01 0.03 -0.05 -0.05 0.01 -0.04 0.02 0.01 -0.07 0.02 0.01 -0.08 -0.06 -0.06 0.06 0.07 -0.03 -0.01 -0.04 -0.05 0.05 0.01 -0.00 -0.00 0.13 0.14 -0.11 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.68 0.24 -0.13 0.28 0.12 -0.07 0.02 -0.05 -0.17 -0.02 -0.06 -0.09 0.03 -0.04 -0.02 0.00 0.27 -0.12 -0.09 0.07 0.07 0.03 0.01 0.13 0.21 0.12 0.05 -0.04 0.01 0.02 -0.05 0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.04 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.04 -0.01 -0.00 -0.00 0.00 0.01 0.04 0.01 0.02 -0.07 0.00 -0.04 -0.05 -0.04 0.03 -0.03 0.02 -0.04 -0.00 -0.02 0.01 0.05 0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.63 0.13 0.26 0.66 -0.06 -0.24 0.01 0.04 0.01 0.05 0.00 0.01 -0.03 0.02 0.00 -0.00 0.00 -0.01 0.00 -0.03 0.07 -0.02 -0.06 0.00 -0.06 -0.00 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.01 0.00 0.01 -0.01 -0.00 0.01 0.20 -0.21 0.04 -0.02 0.06 0.06 -0.03 0.02 -0.01 -0.06 0.06 -0.00 -0.05 0.06 -0.05 -0.01 -0.11 -0.07 0.04 0.02 -0.08 -0.14 0.22 -0.01 -0.00 0.00 0.22 0.27 -0.26 -0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.45 -0.04 0.14 -0.07 -0.26 -0.10 -0.06 0.10 0.31 0.08 0.14 -0.02 -0.09 0.13 -0.06 -0.04 -0.23 0.09 0.03 -0.10 0.05 -0.06 -0.14 0.03 -0.01 0.06 -0.10 0.04 -0.01 -0.00 0.09 -0.01 -0.02 0.01 0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.05 0.06 0.04 0.02 -0.09 -0.00 0.05 0.06 0.04 0.02 -0.09 -0.00 0.01 0.00 -0.01 0.00 0.00 -0.01 0.00 0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.02 0.01 -0.03 0.01 0.01 -0.01 0.19 -0.08 0.13 -0.16 -0.18 -0.13 -0.06 0.26 0.01 -0.16 -0.17 -0.13 -0.07 0.26 -0.00 0.19 -0.07 0.10 -0.03 0.01 -0.02 -0.04 -0.01 0.00 0.04 -0.02 -0.02 -0.00 0.01 0.02 0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.46 0.06 -0.07 -0.36 0.19 -0.06 -0.16 0.06 -0.04 -0.22 0.00 -0.13 -0.19 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 0.01 -0.00 -0.01 0.00 0.00 -0.03 0.20 0.13 -0.03 -0.01 -0.08 0.01 -0.05 0.04 0.02 -0.06 -0.02 0.00 -0.05 -0.05 0.02 0.01 -0.01 0.07 -0.03 -0.01 0.01 0.01 -0.01 0.02 -0.01 -0.00 -0.02 -0.03 0.02 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.48 -0.32 -0.06 0.48 -0.04 -0.09 -0.02 0.00 0.06 0.08 0.12 -0.20 -0.05 0.13 -0.19 0.02 0.10 -0.07 -0.13 -0.05 0.24 0.05 -0.02 0.26 -0.16 -0.10 -0.00 -0.08 0.02 0.03 -0.07 0.01 0.02 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.09 -0.06 -0.03 -0.04 0.03 -0.00 -0.01 0.02 -0.00 -0.03 -0.00 0.00 -0.02 0.01 -0.01 -0.02 0.04 0.03 -0.00 -0.00 -0.05 0.01 -0.11 0.01 -0.00 -0.00 -0.02 -0.02 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.12 0.19 0.05 0.11 -0.15 -0.12 -0.01 0.07 0.15 0.04 0.06 0.03 -0.06 0.02 0.04 -0.01 -0.06 0.02 0.00 -0.04 0.04 -0.02 -0.06 0.05 0.72 0.54 0.03 -0.03 0.01 0.01 -0.03 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.05 0.20 0.06 0.15 -0.12 0.08 -0.18 0.01 -0.11 0.15 -0.16 0.07 -0.19 -0.01 -0.12 0.05 0.21 0.06 -0.01 -0.04 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.55 -0.10 -0.07 -0.52 0.13 0.08 0.05 0.20 0.06 0.15 0.03 -0.00 -0.12 0.08 0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.01 -0.02 -0.01 0.00 0.00 0.01 0.00 -0.10 -0.03 -0.02 0.00 -0.09 0.02 0.05 0.00 -0.01 0.02 -0.00 0.01 0.02 0.01 0.00 -0.01 0.05 -0.02 -0.00 0.05 0.02 0.04 0.07 -0.02 0.01 -0.01 -0.01 0.01 -0.03 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.02 0.02 0.01 0.01 -0.03 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.01 0.29 0.39 0.01 0.45 -0.17 -0.27 -0.02 0.02 0.07 0.03 0.05 0.05 -0.07 0.05 0.06 0.01 -0.08 0.04 0.08 -0.07 -0.05 -0.07 -0.09 -0.04 -0.31 -0.22 -0.00 -0.31 0.05 0.08 -0.31 0.06 0.08 0.03 -0.01 0.00 0.02 0.00 0.02 0.01 -0.02 0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.03 0.02 0.01 -0.04 -0.00 -0.02 -0.03 -0.02 -0.01 0.04 0.00 0.02 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.02 0.02 0.03 0.02 0.00 0.02 -0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.04 0.01 0.01 -0.02 -0.01 -0.01 0.06 -0.02 0.03 0.01 0.01 -0.00 -0.07 0.03 -0.03 -0.07 -0.07 -0.06 -0.03 0.11 -0.00 0.06 0.08 0.05 0.01 -0.11 -0.01 0.11 -0.04 0.06 -0.13 0.06 -0.09 -0.13 -0.14 0.00 -0.11 0.05 0.06 0.01 -0.03 -0.05 -0.03 -0.04 -0.06 0.06 -0.03 -0.05 -0.00 0.04 -0.01 -0.02 0.03 -0.01 0.03 0.04 -0.02 0.10 0.07 0.00 -0.14 -0.01 -0.01 -0.12 0.08 0.01 0.51 -0.13 0.03 0.26 -0.05 0.40 0.21 -0.28 0.33 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.01 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.00 0.03 -0.01 0.00 0.00 -0.00 0.02 -0.00 -0.04 -0.03 -0.01 -0.01 -0.00 0.01 0.01 -0.02 -0.05 0.00 0.03 -0.01 0.00 0.00 -0.01 0.05 -0.01 -0.02 0.03 0.02 0.02 -0.11 0.03 -0.01 -0.01 -0.01 0.01 0.01 0.00 -0.02 -0.02 -0.05 -0.02 0.00 0.06 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 -0.01 0.01 -0.03 0.01 -0.02 0.18 0.17 -0.01 0.09 -0.04 -0.05 -0.04 0.11 0.16 0.08 0.07 0.22 -0.16 0.06 0.17 0.01 -0.14 0.02 0.05 -0.11 0.09 -0.07 -0.12 0.08 -0.14 -0.11 -0.01 0.53 -0.09 -0.11 0.52 -0.12 -0.12 0.12 -0.03 0.01 0.05 -0.02 0.09 0.04 -0.06 0.08 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.04 0.05 0.03 0.03 -0.01 0.01 0.00 -0.02 0.02 -0.01 -0.09 0.01 0.09 -0.06 -0.00 0.00 0.00 -0.04 0.00 0.01 -0.01 -0.01 -0.01 0.05 -0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.02 0.01 -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.11 -0.16 -0.01 -0.09 0.08 0.06 -0.08 0.19 0.24 0.06 -0.02 0.38 -0.18 -0.02 0.31 0.01 -0.37 0.03 0.12 -0.28 0.26 -0.18 -0.27 0.20 0.02 0.01 0.00 -0.21 0.03 0.04 -0.21 0.05 0.05 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.03 -0.02 -0.01 0.04 0.00 0.03 0.03 0.02 0.01 -0.04 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.02 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.02 -0.00 -0.02 0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.01 -0.02 0.01 -0.02 -0.00 -0.00 0.00 0.09 -0.04 0.05 0.05 0.08 0.04 0.01 -0.10 -0.01 -0.07 -0.08 -0.05 -0.02 0.11 0.01 -0.06 0.02 -0.04 -0.07 0.03 -0.05 0.05 0.04 -0.00 -0.01 -0.01 -0.00 -0.01 0.03 0.05 0.03 0.03 0.08 -0.06 0.02 0.06 -0.00 0.08 -0.01 -0.04 0.07 -0.04 0.05 0.07 -0.03 -0.03 -0.02 -0.00 -0.07 0.04 0.04 -0.08 -0.02 0.02 0.57 -0.15 0.06 0.26 -0.10 0.42 0.22 -0.26 0.36 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.02 -0.01 -0.00 0.03 -0.00 -0.01 0.02 -0.03 -0.09 -0.00 -0.09 0.04 0.00 0.00 -0.01 -0.02 0.00 0.00 0.01 0.00 0.01 0.02 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.01 0.01 0.00 -0.02 -0.00 0.01 -0.00 0.01 0.01 -0.00 0.01 0.02 -0.03 -0.01 -0.06 -0.00 0.02 -0.08 0.19 0.27 0.12 0.08 0.40 -0.26 0.06 0.31 -0.01 0.36 -0.05 -0.17 0.31 -0.21 0.22 0.32 -0.15 -0.04 -0.04 -0.01 -0.07 0.01 0.00 -0.06 0.02 0.01 -0.08 0.02 -0.01 -0.04 0.01 -0.06 -0.03 0.04 -0.05 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.00 0.11 0.04 -0.14 -0.12 -0.00 0.16 -0.04 -0.07 -0.02 -0.03 0.02 0.01 -0.00 -0.03 -0.00 0.01 -0.02 -0.08 0.03 0.03 0.07 0.04 0.03 0.03 -0.01 0.01 -0.02 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.01 0.01 -0.00 -0.02 -0.00 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.47 0.34 -0.03 -0.46 0.05 0.20 0.14 -0.10 -0.12 0.09 0.23 -0.12 -0.05 0.11 -0.12 0.01 -0.17 0.01 -0.07 -0.00 0.15 0.01 -0.04 0.20 -0.12 -0.10 -0.02 -0.14 0.00 -0.02 -0.12 0.07 -0.00 -0.03 0.01 -0.00 -0.01 0.01 -0.02 -0.01 0.01 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 0.01 -0.01 0.02 -0.00 0.01 0.01 0.01 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.03 0.01 -0.07 -0.00 -0.04 0.05 -0.05 0.03 -0.06 -0.04 -0.05 0.04 -0.08 0.01 0.01 0.06 0.02 -0.01 -0.06 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.03 -0.01 0.01 -0.03 0.01 -0.01 0.15 0.66 0.21 -0.00 0.20 -0.44 0.03 -0.10 0.47 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.02 0.01 -0.01 -0.00 -0.02 -0.01 0.01 0.02 0.01 0.01 -0.04 -0.00 0.02 0.03 0.02 -0.04 0.01 0.00 -0.04 0.00 0.03 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.02 0.00 0.02 -0.01 -0.27 0.07 -0.03 0.57 0.34 -0.12 0.39 -0.41 -0.36 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.02 0.01 0.01 0.01 -0.00 -0.01 0.00 0.00 -0.04 -0.02 -0.00 0.02 0.01 0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.05 -0.05 -0.00 0.01 0.02 0.01 0.52 -0.04 -0.04 0.18 0.43 -0.22 -0.15 -0.05 0.28 -0.35 0.15 -0.08 0.08 -0.16 0.13 -0.09 -0.10 -0.37 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.03 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.02 -0.03 0.01 -0.02 0.01 0.03 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.05 -0.00 -0.03 0.02 0.03 -0.25 -0.18 -0.26 0.13 0.16 0.19 -0.22 0.40 -0.20 0.18 0.31 -0.00 0.32 -0.22 -0.30 -0.19 -0.27 -0.14 0.04 0.04 0.00 -0.01 -0.01 -0.03 -0.00 0.03 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.01 0.02 0.01 -0.00 -0.03 -0.01 0.01 0.03 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.08 0.04 -0.09 0.00 0.00 0.00 0.22 -0.08 0.12 -0.04 0.18 0.00 -0.11 -0.13 -0.09 -0.05 0.20 0.00 -0.12 -0.13 -0.10 0.21 -0.09 0.13 -0.06 0.02 -0.01 -0.01 -0.01 0.00 0.03 -0.01 -0.01 0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.00 0.00 0.00 0.11 0.18 0.39 -0.03 -0.37 0.23 -0.28 0.07 -0.05 0.21 0.21 -0.14 0.12 -0.16 -0.28 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.06 0.00 0.00 -0.00 -0.04 0.02 -0.03 0.00 -0.05 -0.01 0.02 0.04 0.02 0.01 -0.03 -0.00 0.02 0.02 0.01 -0.03 0.01 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.01 0.01 0.01 -0.03 -0.05 0.03 0.06 0.01 -0.05 0.05 -0.00 0.04 -0.03 0.01 -0.01 0.02 -0.01 0.01 0.01 0.05 0.01 0.00 0.00 0.11 0.24 0.64 -0.08 -0.54 0.42 0.03 -0.00 0.01 -0.01 -0.02 0.01 -0.01 0.01 0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.02 -0.05 -0.02 0.03 0.02 0.01 -0.02 0.01 0.01 -0.02 -0.01 0.01 -0.03 0.00 -0.02 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.06 -0.05 0.01 0.03 0.00 -0.02 0.32 -0.09 -0.12 0.16 0.35 -0.11 -0.17 0.07 0.18 0.50 -0.17 0.11 -0.05 0.20 -0.25 0.08 0.09 0.47 0.03 0.02 -0.00 -0.00 -0.02 -0.06 0.02 0.05 -0.04 -0.00 0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.02 -0.05 -0.02 0.02 0.02 0.01 -0.02 0.01 0.01 0.01 -0.02 0.03 0.02 0.01 -0.02 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.01 0.01 0.00 0.00 -0.00 -0.01 -0.06 -0.02 0.05 0.03 0.03 -0.03 0.05 -0.01 0.05 0.02 0.03 -0.03 0.05 -0.01 -0.01 -0.05 -0.01 -0.00 -0.00 -0.00 -0.02 -0.00 0.01 0.03 -0.00 -0.02 -0.20 -0.18 -0.27 0.12 0.17 0.18 -0.20 0.36 -0.16 -0.31 -0.27 -0.02 -0.25 0.13 0.34 0.15 0.22 -0.03 0.03 0.03 0.01 -0.05 -0.00 -0.05 0.06 0.01 -0.01 0.04 0.20 0.06 -0.04 0.07 -0.16 0.05 -0.06 0.17 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.01 0.01 -0.01 0.02 -0.00 0.02 0.01 0.01 -0.01 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.04 -0.02 0.01 0.01 0.00 -0.02 0.01 0.01 0.01 -0.01 0.02 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.02 -0.00 0.00 0.00 -0.00 0.03 0.11 0.03 -0.09 -0.05 -0.06 0.05 -0.11 0.02 -0.09 -0.03 -0.06 0.06 -0.09 0.02 0.02 0.10 0.03 0.00 0.01 0.00 -0.02 -0.00 0.01 0.03 -0.00 -0.02 -0.14 -0.14 -0.21 0.09 0.14 0.14 -0.16 0.28 -0.11 -0.23 -0.22 -0.02 -0.20 0.11 0.26 0.12 0.18 -0.01 0.02 0.02 0.01 0.09 -0.03 0.00 -0.09 0.06 -0.04 -0.08 -0.36 -0.11 0.08 -0.13 0.30 -0.10 0.10 -0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.02 0.01 0.00 0.02 0.00 -0.01 -0.02 -0.01 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.04 -0.01 0.00 -0.00 -0.00 0.09 0.39 0.12 0.01 -0.28 -0.04 -0.13 -0.22 -0.12 -0.00 0.27 0.04 0.12 0.22 0.11 -0.09 -0.38 -0.12 0.01 0.03 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.21 -0.04 0.07 -0.21 0.10 -0.05 0.04 0.19 0.06 -0.17 0.10 -0.25 0.17 -0.13 0.24 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.02 -0.02 0.02 -0.01 0.02 0.00 0.01 0.02 -0.02 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.04 -0.02 0.03 -0.00 0.00 0.00 -0.24 0.10 -0.13 0.35 -0.22 0.18 0.38 -0.08 0.23 -0.35 0.20 -0.19 -0.37 0.09 -0.22 0.22 -0.09 0.13 -0.04 0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 -0.03 -0.04 -0.02 0.06 -0.01 -0.05 0.02 -0.01 0.08 0.07 -0.02 0.05 -0.07 -0.06 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.01 -0.00 -0.08 -0.07 0.01 0.00 -0.02 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.45 0.29 0.13 0.00 -0.00 0.01 -0.41 -0.25 -0.15 -0.00 -0.00 0.00 0.04 0.03 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.23 0.18 0.00 0.01 0.01 0.00 0.01 0.01 0.01 0.00 0.00 -0.01 -0.00 -0.02 0.03 -0.00 -0.01 0.00 -0.00 0.02 -0.01 -0.00 -0.01 0.01 -0.41 -0.38 0.18 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 -0.04 -0.07 0.16 -0.46 0.02 -0.02 0.01 0.00 -0.01 0.01 0.01 0.03 -0.07 -0.01 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.06 -0.25 0.74 0.01 0.00 0.01 -0.01 -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.07 -0.03 0.03 0.18 -0.03 -0.17 -0.01 0.00 -0.01 -0.00 -0.00 0.05 0.00 -0.00 -0.00 -0.08 0.09 -0.03 0.00 -0.00 0.00 0.01 0.03 -0.09 0.02 0.02 -0.01 0.12 -0.05 -0.01 0.12 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.02 -0.00 -0.04 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.21 -0.12 0.32 -0.16 -0.03 -0.24 -0.20 -0.12 0.05 -0.06 -0.27 0.45 0.32 0.22 -0.45 0.26 0.04 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.04 0.00 0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.33 -0.20 0.49 -0.25 -0.05 -0.36 -0.29 -0.19 -0.03 0.04 0.18 -0.29 -0.21 -0.14 0.28 -0.17 -0.03 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 0.02 -0.05 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.19 -0.20 0.78 0.14 -0.32 -0.19 0.28 0.28 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 0.00 0.01 -0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.16 0.08 0.02 -0.14 -0.12 -0.07 -0.03 0.01 0.04 0.47 0.36 0.24 0.61 -0.38 -0.07 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.02 0.06 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.09 0.67 -0.23 -0.19 -0.42 -0.52 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.09 -0.01 -0.02 -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.00 0.57 -0.30 -0.07 0.49 0.43 0.27 -0.01 0.00 0.00 0.13 0.10 0.06 0.17 -0.11 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.06 0.00 -0.06 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.11 -0.13 0.51 -0.20 0.50 0.26 -0.41 -0.42 -0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.09 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 0.03 0.01 0.75 -0.47 -0.29 0.13 0.04 0.23 0.17 0.13 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.01 -0.00 0.01 -0.01 0.06 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.09 -0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.05 0.01 0.01 0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 0.08 0.64 -0.23 0.20 0.42 0.54 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.03 -0.08 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.05 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.17 0.17 0.91 0.17 0.12 0.07 -0.21 0.12 0.01 -0.00 0.00 -0.00 -0.00 -0.03 0.01 -0.01 -0.02 -0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.09 -0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.25 0.57 0.32 0.50 0.50 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.06 0.02 -0.04 0.05 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.10 -0.10 0.66 -0.19 0.41 -0.57 0.00 0.03 -0.02 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.03 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.02 0.02 -0.11 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.06 -0.01 0.03 -0.05 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.11 -0.10 0.66 0.18 -0.37 0.53 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.04 0.01 0.00 0.00 -0.01 0.00 0.00 -0.06 0.06 -0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.00 0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.02 0.02 -0.08 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.05 -0.04 0.29 0.04 -0.07 0.10 -0.00 -0.06 0.03 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.18 -0.21 0.90 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 17 9 9 9 9 9 9 9 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 17 9 9 9 9 9 9 9 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 18.99840 18.99840 18.99840 18.99840 18.99840 18.99840 18.99840 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 418.05706 0.99989 -0.01451 0.0015 0.0145 0.99989 0.00433 -0.00156 -0.00431 0.99999 asymmetric 1 0.01452 0.00288 0.00267 0.30263 0.06007 0.05563 747946.4 9.98 16.07 23.84 36.66 50.57 51.38 64.22 93.02 107.78 159.86 173.75 187.12 197.25 229.21 239.78 261.13 281.07 296.54 320.85 324.70 357.43 378.49 403.03 408.66 424.91 429.46 451.89 483.92 497.88 510.73 533.97 557.52 583.03 597.64 645.75 650.96 677.27 692.51 701.35 769.73 790.39 820.91 871.80 895.14 930.96 944.16 958.35 989.20 1030.27 1036.82 1054.36 1103.64 1143.84 1209.21 1272.54 1297.94 1324.99 1361.57 1374.54 1397.55 1410.44 1429.44 1461.59 1493.24 1500.51 1519.91 1558.14 1565.08 1599.17 1608.99 1614.86 1632.37 1635.57 1640.89 1688.39 1726.50 1792.81 1826.63 1838.40 1859.62 1896.79 1911.71 1921.78 1995.76 2027.89 2037.05 2042.99 2059.30 2062.54 2105.55 2124.93 2139.31 2142.50 2150.24 2161.65 2167.61 2176.81 2181.60 2182.58 2353.46 2422.35 2448.98 2553.76 4349.84 4356.06 4371.23 4429.41 4435.04 4440.13 4464.80 4466.14 4507.18 4509.26 4515.64 4558.82 4564.97 4587.24 0.284878 0.311797 0.312741 0.221478 -1965.965943 -1965.939023 -1965.938079 -1966.029343 195.656 96.978 192.080 0.000 0.000 0.000 0.889 2.981 43.982 0.889 2.981 37.006 193.878 91.017 111.092 1 0.593 1.987 8.739 2 0.593 1.987 7.792 3 0.593 1.986 7.008 4 0.593 1.985 6.153 5 0.594 1.982 5.515 6 0.594 1.982 5.484 7 0.595 1.980 5.042 8 0.597 1.971 4.310 9 0.599 1.966 4.020 10 0.607 1.940 3.249 11 0.609 1.932 3.088 12 0.612 1.923 2.945 13 0.614 1.916 2.844 14 0.621 1.892 2.558 15 0.624 1.883 2.473 16 0.630 1.865 2.313 17 0.636 1.846 2.176 18 0.641 1.831 2.078 19 0.649 1.806 1.935 20 0.650 1.802 1.913 21 0.662 1.765 1.742 22 0.670 1.741 1.641 23 0.680 1.710 1.533 24 0.682 1.703 1.509 25 0.690 1.682 1.443 26 0.692 1.677 1.425 27 0.702 1.647 1.341 28 0.717 1.603 1.229 29 0.724 1.583 1.184 30 0.731 1.565 1.144 31 0.743 1.531 1.075 32 0.756 1.497 1.010 33 0.770 1.459 0.944 34 0.779 1.437 0.908 35 0.808 1.363 0.799 36 0.811 1.356 0.788 37 0.828 1.315 0.736 38 0.838 1.291 0.707 39 0.843 1.278 0.690 40 0.890 1.173 0.576 41 0.905 1.141 0.546 42 0.927 1.095 0.503 43 0.965 1.019 0.440 0.145156e+30 29.161835 67.147607 0.158308e+14 13.199504 30.392981 0.100000e+01 0.000000 0.000000 0.335975e+09 8.526307 19.632548 0.272913e+08 7.436024 17.122078 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 3.8730 1.7252 2.0962 4.7297 -166.5294 -168.2039 -160.6338 -15.7938 -0.0249 0.2545 -1.4070 -3.0815 4.4886 -15.7938 -0.0249 0.2545 255.2379 -5.9804 12.5999 -29.9457 -9.5958 5.9038 7.4027 -17.9695 11.4209 -30.3736 -17543.2329 -2788.1075 -1299.5165 -452.2671 204.4797 148.2172 -5.7326 -16.5622 11.6747 -3557.7490 -3068.2048 -681.3310 -94.2448 -7.4544 26.7964 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1966.2508206 3.949E-9 3.827E-6 0.2848777 0.3117972 -1965.9390234 -1965.9380793 -1966.0293426 -3.620082,3.5552486,0.0648333,-0.4351872,11.4901885,-1.2529551 C01 [X(C17H14Cl1F7O2)] -1.4390957 0.9934769 0.6361219 -0.0987536 0.0270437 0.0507528 0.2993452 -0.5829317 -0.0993336 0.0232903 0.0512921 -0.024279 -0.4089031 -0.0413139 0.0728948 -0.0717244 -0.920129 0.1009517 0.0877513 0.0983986 -0.3313248 -0.5184279 0.0103799 0.2014718 -0.0428051 -0.3239617 -0.1152247 0.3194754 -0.1764376 -0.997507 -1.1617736 0.0778667 -0.0656083 -0.0203375 -0.2872832 0.0638853 -0.1159752 0.044849 -0.4217492 -0.4874277 0.3312452 0.3693673 0.3281544 -0.3913384 -0.3162435 0.3274565 -0.3152722 -0.6226479 -0.1961239 0.0616289 -0.0973964 0.0753363 -0.1644049 0.1339977 -0.081531 0.1366956 -1.1464568 -0.5645618 0.3386534 0.3634682 0.3898811 -0.4018919 -0.3098317 0.4377914 -0.3281927 -0.6034586 -0.187216 0.0557319 -0.1024779 0.0755251 -0.1654298 0.1374892 -0.199695 0.1378449 -1.2123109 -2.1910005 0.4483292 -0.7167901 0.2895644 -0.606048 0.2154106 -0.7340684 0.2442962 -0.487374 -0.8778353 -0.0572109 -0.1683229 0.072626 -1.0445253 0.2225723 -0.2071022 0.1451118 -0.4256539 0.6681296 0.0145804 -0.0201299 -0.3726168 0.2037639 0.0632765 0.1390722 0.0265557 0.2404804 -0.3118674 0.0867494 0.2606111 0.0930107 -0.090639 -0.1086665 0.5763851 -0.0398299 -0.0771925 -0.7642647 -0.1279994 -0.2539709 -0.3291655 -0.02022 0.0635062 -0.6138571 -0.0279919 -0.0949823 -0.0013772 -0.0335935 0.0214952 0.0130974 0.0227466 0.0558413 -0.0234409 0.0071731 0.0330692 -0.0153945 -0.0480452 -0.0032233 0.0228026 -0.0744968 -0.0603441 -0.0206228 -0.0030224 0.0352285 0.4550562 -0.0624052 -0.3343238 0.2444577 -0.2321927 -0.0829585 -0.4090418 0.0572243 0.0740766 2.3954087 -0.1479115 0.76247 -0.1517818 1.3159043 -0.3925281 0.8429077 -0.334936 0.5156639 -0.4537555 -0.121758 0.1362766 -0.5448039 0.8628407 0.1593534 0.2148327 -0.045457 -0.3004764 1.2743109 -0.196462 0.3549911 0.1009097 0.40918 -0.0001751 0.2819092 -0.08375 0.3693276 2.2420894 0.0168684 -0.271919 0.3625065 1.35633 -0.1464773 -0.3758817 0.0192612 1.8489737 -0.1144398 -0.0000888 0.0003994 0.103339 -0.2030446 0.0496447 -0.0223741 0.0146983 -0.1215727 0.505837 -0.3646498 -0.4845494 -0.3374719 0.412822 0.4216311 -0.1997811 0.2381929 0.6189661 0.2153597 -0.079543 0.2326285 -0.0715553 0.1633404 -0.2419819 -0.0308825 -0.0787042 1.1600713 0.4991357 -0.3243497 -0.5262448 -0.3790815 0.3469553 0.4580709 -0.4656841 0.3536384 0.5155472 0.047131 0.020151 0.1874297 0.007998 0.0543795 -0.2232104 0.1457409 -0.1010106 1.2589531 0.0571325 -0.1185815 0.0713047 -0.1595589 0.0993302 -0.0895995 0.0814214 -0.0789083 -0.0519643 0.1159929 0.0026332 0.0137294 0.1120221 0.0135932 0.0437597 -0.0118448 0.0132135 0.0573 0.0250624 -0.0009068 0.0413672 0.0047523 0.0085457 0.0074708 0.0223494 -0.0152755 0.0557183 0.0007211 -0.0335951 -0.0166516 0.0074144 -0.0155248 0.0438793 -0.0008098 0.0599131 0.0457188 0.067959 -0.0430101 0.0074621 -0.0525069 -0.0065453 0.0650787 0.0393351 0.1073129 -0.0654322 -0.072213 -0.0216014 -0.124168 0.0110833 0.0259164 -0.0060389 -0.1026338 -0.0158248 -0.0005075 -0.0300233 0.079441 0.0987803 0.0322427 0.0164031 -0.0746563 0.0738208 -0.0795893 -0.0137097 0.0841794 -0.0386005 0.0323037 -0.0495428 -0.0316519 -0.0094774 0.0168529 -0.053502 0.0770005 -0.0468931 0.0593669 0.1270991 0.0633398 0.0265221 -0.0268028 0.0996404 -0.0197835 -0.0415863 -0.0657571 0.0290545 -0.1269631 0.0002062 0.0828596 0.0295286 -0.0799861 0.0254981 -0.0536941 0.0734033 0.0555516 0.0117235 -0.0087238 0.0004094 0.0173015 0.0102475 -0.0163207 0.1230146 -0.0657676 0.0243351 -0.0435065 -0.0683383 0.0641402 -0.0098932 0.0032731 0.0608066 -0.0233308 -0.0779249 0.0652688 -0.0204231 -0.0576168 0.0309181 -0.0501498 -0.0185914 -0.0528556 0.0180572 -0.0177322 -0.0302828 -0.0252757 0.0085614 -0.0765584 0.0409632 -0.0337753 0.0296351 0.076314 0.0345802 0.0384057 -0.0430883 -0.0080088 0.050611 -0.0505276 -0.071033 -0.0170998 -0.0259813 -0.0320553 0.0486242 0.0270066 0.0074635 0.0713059 0.0205083 0.0750587 0.0121526 0.019711 269.999359|-45.1549753|198.8023987|1.5732022|-1.990642|214.4523732 0.000001265 -0.000002420 -0.000000618 -0.000006397 -0.000001513 0.000003141 -0.000003478 -0.000004421 -0.000001224 0.000000382 -0.000003864 0.000003762 -0.000001689 0.000000612 0.000000846 0.000000359 -0.000000213 -0.000002120 -0.000000223 0.000000368 -0.000002437 0.000002403 -0.000002666 0.000002179 -0.000002343 0.000007797 -0.000004379 -0.000000474 0.000003539 0.000001047 0.000003776 -0.000001055 -0.000004092 0.000005218 0.000001148 0.000001567 -0.000011615 0.000002418 0.000002499 -0.000001787 -0.000000102 0.000000356 0.000002251 0.000000658 0.000000289 0.000001846 -0.000001470 -0.000001862 0.000009070 -0.000009498 0.000002055 -0.000000527 0.000002002 -0.000000644 -0.000005897 -0.000001563 -0.000000274 0.000006369 0.000009245 -0.000006273 0.000000752 -0.000002159 -0.000005290 0.000005745 -0.000005293 0.000004947 -0.000003254 0.000003305 0.000006513 0.000000395 -0.000002990 0.000008430 -0.000009631 0.000005790 -0.000001707 0.000006832 -0.000000569 -0.000014177 0.000010240 0.000007339 0.000002600 -0.000000863 0.000000276 0.000000376 0.000001905 0.000000421 0.000000951 0.000002146 0.000000267 -0.000000684 -0.000000138 0.000000576 0.000000735 -0.000000909 0.000000838 -0.000001288 -0.000000135 0.000000080 0.000000361 0.000000378 0.000000578 0.000000038 0.000000840 -0.000000092 0.000000179 0.000000243 0.000001605 -0.000000828 0.000000483 -0.000000637 0.000000328 0.000000539 0.000000022 0.000000279 -0.000002447 -0.000003893 0.000002562 -0.000006193 -0.000002787 0.000001243 -0.000005439 -0.000001675 0.000000615 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.9902,-2.7049,.1427;5.6898,1.0703,-.709;5.9714,-.6863,-1.9595;7.0954,-.4783,-.1138;-2.5915,-.8016,-2.4339;-3.8975,.1949,1.9977;-5.7516,1.905,1.0667;-4.4462,.9067,-3.3643;-.949,-.5129,.5638;.057,-2.3772,1.3393;2.0359,-.264,2.5954;2.6523,-.9231,1.3742;1.2583,-.2926,1.2843;2.5291,1.0974,3.0531;1.6365,-1.1742,3.742;3.7593,-.3203,.6261;.0988,-1.1969,1.0823;4.7843,-.9705,.0726;-2.1492,-1.2962,.3326;5.8863,-.2672,-.6786;-3.1937,-.3585,-.1905;-3.3646,-.141,-1.5546;-4.0206,.3598,.6687;-4.9773,1.2418,.1864;-4.3232,.7416,-2.0335;-5.1575,1.4563,-1.1778;-6.1877,2.4201,-1.6991;2.6311,-2.0061,1.3957;1.1741,.6556,.7678;2.7467,1.7745,2.2254;3.439,.9895,3.6509;1.7695,1.5747,3.6785;1.2967,-2.1494,3.3966;.8313,-.7171,4.3257;2.4929,-1.3192,4.4069;3.7603,.7563,.5037;-2.462,-1.7539,1.2708;-1.9273,-2.0845,-.3863;-5.7566,3.4205,-1.8024;-6.5446,2.1082,-2.6804;-7.0317,2.4897,-1.0131; Gaussian 16 13-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C17H14ClF7O2)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=checkguess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.9902,-2.7049,.1427;5.6898,1.0703,-.709;5.9714,-.6863,-1.9595;7.0954,-.4783,-.1138;-2.5915,-.8016,-2.4339;-3.8975,.1949,1.9977;-5.7516,1.905,1.0667;-4.4462,.9067,-3.3643;-.949,-.5129,.5638;.057,-2.3772,1.3393;2.0359,-.264,2.5954;2.6523,-.9231,1.3742;1.2583,-.2926,1.2843;2.5291,1.0974,3.0531;1.6365,-1.1742,3.742;3.7593,-.3203,.6261;.0988,-1.1969,1.0823;4.7843,-.9705,.0726;-2.1492,-1.2962,.3326;5.8863,-.2672,-.6786;-3.1937,-.3585,-.1905;-3.3646,-.141,-1.5546;-4.0206,.3598,.6687;-4.9773,1.2418,.1864;-4.3232,.7416,-2.0335;-5.1575,1.4563,-1.1778;-6.1877,2.4201,-1.6991;2.6311,-2.0061,1.3957;1.1741,.6556,.7678;2.7467,1.7745,2.2254;3.439,.9895,3.6509;1.7695,1.5747,3.6785;1.2967,-2.1494,3.3966;.8313,-.7171,4.3257;2.4929,-1.3192,4.4069;3.7603,.7563,.5037;-2.462,-1.7539,1.2708;-1.9273,-2.0846,-.3863;-5.7566,3.4205,-1.8024;-6.5446,2.1082,-2.6804;-7.0317,2.4897,-1.0131; oldchk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-trans/gaussian/gas/CON #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction Tefluthrin-trans/ CONF42 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 35 19 19 19 19 19 19 19 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 686 A 686 1101 713 106 106 2647.3409482735 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0427866994 0.000000 3.932859 0.000000 3.075170 2.174483 0.000000 3.074920 2.174404 2.170907 0.000000 8.230673 8.663692 8.576799 9.966051 0.000000 9.531070 10.000462 10.669116 11.214005 4.726273 0.000000 11.725738 11.608487 12.381490 13.119408 5.437439 2.688749 0.000000 10.695275 10.479323 10.631890 12.070256 2.687720 5.436866 4.725928 0.000000 6.344854 6.942724 7.368124 8.072956 3.430321 3.354154 5.400386 5.447535 0.000000 5.086835 6.914469 6.980039 7.433412 4.871762 4.763111 7.221653 7.292945 2.255913 0.000000 4.549957 5.104012 6.034323 5.743172 6.855293 5.980996 8.227210 8.882896 3.619253 3.155854 0.000000 3.187081 4.188122 4.710170 4.706699 6.481740 6.673657 8.872338 8.728661 3.714069 2.975054 1.518471 0.000000 4.588032 5.046693 5.734978 6.005016 5.376342 5.227685 7.349565 7.455826 2.332404 2.406666 1.524580 1.532571 0.000000 5.383830 4.913708 6.336910 5.776078 7.741658 6.574866 8.553853 9.480182 4.570236 4.595810 1.518627 2.629939 2.583692 0.000000 5.152299 6.424916 7.178892 6.719468 7.493760 5.961664 8.439392 9.582759 4.150093 3.116914 1.517496 2.588758 2.638322 2.536082 0.000000 2.726791 2.728245 3.422317 3.420783 7.065931 7.795685 9.777715 9.206441 4.712676 4.294938 2.617534 1.465794 2.586285 3.068174 3.865837 0.000000 5.204161 6.293559 6.633279 7.134353 4.444910 4.329561 6.621888 6.697325 1.354457 1.208717 2.629090 2.584647 1.484308 3.879992 3.072345 3.791548 0.000000 1.748070 2.365520 2.370484 2.370213 7.791877 8.968676 10.966417 10.026865 5.772503 5.092225 3.797012 2.498376 3.789497 4.271457 4.838908 1.334046 4.798415 0.000000 7.279568 8.254456 8.459877 9.291402 2.844893 2.837718 4.874859 4.878107 1.451706 2.655092 4.868353 4.927301 3.677560 5.917542 5.096161 5.995743 2.371799 6.946025 0.000000 2.724023 1.352169 1.350349 1.351032 8.674114 10.153768 11.966893 10.740203 6.951716 6.519612 5.054209 3.886309 5.027144 5.201795 6.198880 2.495866 6.120531 1.507790 8.164033 0.000000 8.520198 9.012652 9.340018 10.290053 2.364702 2.364270 3.639608 3.639055 2.373054 4.121013 5.926099 6.078027 4.690413 6.737275 6.281783 7.000893 3.628139 8.005777 1.497966 9.093623 0.000000 8.902683 9.174165 9.360674 10.564110 1.344330 3.607723 4.093274 2.354298 3.234327 5.008259 6.811945 6.737360 5.427127 7.582869 7.357474 7.452337 4.479174 8.351076 2.524475 9.293186 1.391855 0.000000 9.532233 9.833333 10.384611 11.174885 3.607869 1.344914 2.354291 4.092096 3.194815 4.956577 6.386059 6.831552 5.354538 7.009087 6.618214 7.809625 4.423044 8.924700 2.521375 10.017715 1.392023 2.371464 0.000000 10.720552 10.706029 11.322368 12.198276 4.090636 2.354348 1.346949 3.605845 4.410029 6.306407 7.566722 8.019220 6.514797 8.036449 7.888061 8.886024 5.702315 10.009787 3.802760 11.001991 2.425721 2.746622 1.387741 0.000000 10.166292 10.105555 10.393363 11.642837 2.353794 4.090344 3.606239 1.346670 4.438973 6.347335 7.929379 7.939768 6.574962 8.541256 8.517288 8.574777 5.746246 9.503290 3.804859 10.348286 2.425395 1.388227 2.745717 2.367713 0.000000 11.047020 10.864342 11.360206 12.450216 3.641455 3.641874 2.364750 2.364065 4.962116 6.944309 8.303116 8.553784 7.091103 8.781425 8.791086 9.269301 6.306855 10.309832 4.348303 11.188672 2.850431 2.430620 2.429939 1.392726 1.392525 0.000000 12.434029 11.994955 12.552361 13.687749 4.883856 4.885022 2.846899 2.845416 6.416177 8.440560 9.657889 9.938194 8.467759 10.015770 10.185438 10.576366 7.767819 11.619828 5.852209 12.411528 4.354381 3.814473 3.814149 2.531537 2.530977 1.503967 0.000000 2.761155 4.821790 4.914900 4.954004 6.587220 6.915818 9.256055 9.012732 3.967199 2.601309 2.197342 1.083335 2.198393 3.519797 2.680798 2.169527 2.676843 2.731165 4.948259 4.233554 6.257683 6.937625 7.097187 8.360519 8.226186 8.903554 10.341175 0.000000 5.123166 4.769120 5.679094 6.092948 5.153036 5.238905 7.043889 6.980325 2.432065 3.282205 2.220043 2.246137 1.083041 2.693293 3.522559 2.766875 2.164982 4.020047 3.878621 5.014823 4.585269 5.160230 5.204033 6.206574 6.170448 6.672041 7.962140 3.098637 0.000000 5.425605 4.215357 5.828174 5.427582 7.539323 6.833119 8.577923 9.150706 4.653135 5.025602 2.190377 2.830371 2.715467 1.091255 3.496815 2.823420 4.140951 4.040003 6.081293 4.739144 6.758293 7.436760 7.086616 8.006310 8.317910 8.611594 9.779676 3.872301 2.418602 0.000000 5.325683 4.907306 6.379430 5.449459 8.752093 7.562269 9.590826 10.554430 5.571552 5.302481 2.157346 3.075817 3.464067 1.094047 2.817641 3.311752 4.747121 4.295981 6.889411 5.129640 7.782420 8.640830 8.058225 9.104956 9.624164 9.870892 11.105977 3.835647 3.681516 1.768476 0.000000 6.417983 5.905431 7.386105 6.852857 7.875654 6.069844 7.968561 9.417119 4.631390 4.901233 2.150557 3.511181 3.078973 1.093594 2.752833 4.107028 4.148886 5.345039 5.898612 6.270994 6.583275 7.529119 6.637734 7.604247 8.392921 8.460580 9.641088 4.333056 3.109919 1.762468 1.769311 0.000000 4.953656 6.820723 7.258141 6.981395 7.136447 5.867854 8.458468 9.382447 3.968116 2.412709 2.177847 2.726071 2.812659 3.489790 1.088940 4.133482 2.774572 4.960052 4.689396 6.419874 6.019812 7.090511 6.481571 7.821021 8.332244 8.693873 10.142135 2.409321 3.846292 4.344112 3.808798 3.764539 0.000000 6.224687 7.221459 8.119457 7.681516 7.577259 5.349027 7.799450 9.467061 4.166928 3.503500 2.156510 3.474241 3.100478 2.791898 1.094562 4.734803 3.359587 5.812052 5.016393 7.127395 6.060139 7.246747 6.170412 7.396660 8.314782 8.418940 9.767639 3.672361 3.828992 3.779979 3.188759 2.559547 1.769616 0.000000 5.132312 6.488674 7.282240 6.505882 8.539090 6.995277 9.461811 10.653567 5.221768 4.057540 2.145698 3.062666 3.511277 2.770240 1.093912 4.110511 4.098812 4.915113 6.176622 6.203595 7.375446 8.440296 7.695406 8.954100 9.601306 9.870292 11.252553 3.091701 4.345436 3.794008 2.607061 3.070580 1.772305 1.769272 0.000000 3.691014 2.300549 3.610715 3.609507 7.169473 7.822288 9.597530 9.073589 4.877725 4.922557 2.896507 2.192260 2.822987 2.851576 4.327158 1.083572 4.190029 2.053364 6.258133 2.639234 7.076908 7.470317 7.792661 8.756794 8.472264 9.101894 10.323914 3.114710 2.601539 2.242426 3.172123 3.835670 4.783436 5.035679 4.598820 0.000000 7.596895 8.851459 9.093759 9.741008 3.827315 2.527208 4.924532 5.700904 2.080604 2.595889 4.919879 5.182328 3.997060 6.018099 4.820840 6.416797 2.627432 7.386359 1.089781 8.700879 2.148938 3.376226 2.694337 4.059168 4.539807 4.854612 6.334328 5.100848 4.390935 6.363282 6.929131 5.897616 4.336255 4.610122 5.880110 6.753247 0.000000 6.965443 8.250964 8.174329 9.168586 2.505888 3.842008 5.714274 4.915337 2.080817 2.645960 5.283187 5.041916 4.018784 6.466387 5.529277 6.039465 2.655164 6.818928 1.089712 8.027557 2.149725 2.684739 3.386652 4.549154 4.054642 4.857803 6.337672 4.894983 4.296449 6.600000 7.385558 6.601459 4.970822 5.628815 6.565063 6.419618 1.772378 0.000000 12.521927 11.736239 12.427219 13.536044 5.314402 5.319974 3.244731 3.236697 6.647069 8.791030 9.676706 9.983314 8.516076 9.880517 10.320344 10.509186 7.995455 11.571799 6.310232 12.264559 4.842279 4.297398 4.299766 3.051161 3.047109 2.146422 1.094300 10.489437 7.892080 9.551835 10.963869 9.491513 10.382782 9.903201 11.361126 10.148215 6.861030 6.853777 0.000000 12.813618 12.435654 12.844426 14.118297 4.914739 5.705561 3.835463 2.512905 6.978958 8.936369 10.348260 10.498155 9.075713 10.780861 10.906532 11.090582 8.319636 12.058260 6.323584 12.813203 4.849012 4.054488 4.543586 3.380226 2.687188 2.146336 1.089812 10.850575 8.577812 10.512213 11.874741 10.480694 10.795523 10.558038 11.985621 10.869997 6.869921 6.645381 1.764739 0.000000 13.147117 12.804062 13.418726 14.463436 5.706703 4.914766 2.511155 3.836523 6.964279 8.914638 10.140264 10.541606 9.041203 10.482399 10.543852 11.270675 8.296108 12.359974 6.323200 13.213149 4.849649 4.545477 4.053626 2.686395 3.381302 2.146517 1.089777 10.926264 8.594798 10.325477 11.560209 10.015436 10.503753 10.030596 11.601862 11.035006 6.641297 6.882672 1.764995 1.778406 0.000000 C17H14ClF7O2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.1375,-.2838,-1.6621;-5.0831,-1.6445,2.0274;-5.5475,-2.7061,.1874;-6.7874,-1.0402,.82;2.8695,-2.1673,-1.3701;3.904,2.2395,-.011;6.1081,1.3371,1.2369;5.0736,-3.0688,-.124;1.0264,.5655,-.4202;-.3586,1.4307,-1.9765;-2.0478,2.1942,.5775;-2.6514,.9948,-.1316;-1.1666,.9944,.248;-2.3367,2.4299,2.0496;-1.9238,3.4775,-.2228;-3.5603,.0583,.5358;-.169,1.0349,-.8503;-4.626,-.5309,-.0089;2.0878,.5678,-1.4107;-5.5122,-1.4816,.7556;3.3247,.0638,-.7326;3.6593,-1.2872,-.7308;4.1793,.9236,-.0482;5.3166,.4562,.595;4.7983,-1.7512,-.0868;5.6599,-.8935,.5924;6.8872,-1.4004,1.2985;-2.8219,1.1445,-1.1909;-.8696,.3843,1.0921;-2.3533,1.5095,2.6356;-3.3039,2.9266,2.1712;-1.568,3.0794,2.4778;-1.7285,3.2897,-1.2774;-1.1101,4.0935,.1727;-2.8515,4.0509,-.1371;-3.3616,-.1879,1.5722;2.2256,1.5828,-1.7826;1.8007,-.0753,-2.2422;6.6492,-1.6688,2.3324;7.2754,-2.2907,.8042;7.6616,-.634,1.3227; 0.3026305 0.0600673 0.0556337 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 686 RedAO= T EigKep= 1.27D-06 NBF= 686 NBsUse= 685 1.00D-06 EigRej= 9.37D-07 NBFU= 685 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 680 680 680 680 680 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1966.25082059701 -1966.25082060 1 1.960017878915e+03 -9.933118409779e+03 3.359551548694e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245691381 LenY= 4245182299 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT740.300S 2023-05-13T04:24:00.000 -101.57566 -24.72847 -24.72588 -24.72527 -24.72353 -24.72314 -24.72121 -24.72115 -19.19002 -19.12969 -10.44758 -10.32249 -10.30079 -10.30078 -10.29722 -10.29707 -10.26606 -10.26298 -10.23639 -10.23267 -10.22795 -10.22400 -10.21697 -10.21657 -10.20170 -10.18720 -10.17673 -9.49007 -7.25494 -7.24472 -7.24444 -1.33116 -1.27249 -1.27176 -1.25841 -1.25784 -1.24467 -1.23949 -1.12954 -1.04301 -0.92156 -0.92017 -0.90166 -0.84255 -0.80376 -0.79099 -0.78382 -0.76293 -0.74253 -0.71867 -0.71381 -0.67631 -0.67234 -0.65513 -0.63673 -0.61243 -0.60840 -0.60339 -0.59130 -0.58658 -0.58512 -0.57428 -0.56607 -0.55864 -0.53611 -0.53100 -0.52844 -0.51175 -0.50458 -0.49728 -0.49461 -0.48964 -0.48712 -0.48395 -0.48377 -0.48075 -0.47040 -0.46015 -0.45757 -0.45421 -0.45069 -0.44497 -0.44452 -0.44110 -0.43408 -0.42655 -0.42590 -0.42443 -0.41972 -0.41599 -0.40787 -0.40602 -0.40177 -0.39562 -0.39044 -0.38774 -0.37394 -0.37111 -0.34178 -0.33735 -0.33108 -0.31470 -0.30421 -0.28486 -0.27313 -0.27125 -0.05872 -0.05139 -0.03267 -0.02959 -0.01658 -0.01101 0.00065 0.00639 0.01050 0.01491 0.02041 0.02371 0.02947 0.03267 0.03722 0.03924 0.04168 0.04581 0.04830 0.05280 0.05387 0.06100 0.06279 0.06552 0.06842 0.07073 0.07304 0.07550 0.07937 0.08338 0.08452 0.08782 0.09422 0.09789 0.09977 0.10436 0.10644 0.10952 0.11102 0.11366 0.11718 0.12279 0.12433 0.12890 0.12994 0.13213 0.13425 0.13519 0.13750 0.14319 0.14496 0.14574 0.14674 0.15265 0.15314 0.15765 0.15808 0.16174 0.16407 0.16778 0.16954 0.17436 0.17549 0.17923 0.18068 0.18215 0.18619 0.18861 0.19185 0.19361 0.19489 0.20216 0.20326 0.20646 0.20911 0.21102 0.21446 0.21622 0.22122 0.22422 0.22584 0.23010 0.23160 0.23424 0.23595 0.23888 0.24321 0.24509 0.24723 0.25008 0.25234 0.25324 0.26157 0.26541 0.26948 0.27225 0.27557 0.27849 0.28191 0.28479 0.29058 0.29389 0.29463 0.29802 0.30278 0.30579 0.30946 0.31464 0.31862 0.32400 0.32469 0.32677 0.33089 0.33403 0.33645 0.33988 0.34295 0.34416 0.35100 0.35400 0.35587 0.35894 0.36214 0.36499 0.36772 0.36882 0.37052 0.37455 0.38080 0.38333 0.38585 0.38703 0.39047 0.39371 0.39919 0.40472 0.40777 0.41109 0.41743 0.42072 0.42127 0.42375 0.43252 0.43774 0.43994 0.44760 0.45771 0.46484 0.46893 0.47786 0.48548 0.48985 0.49550 0.50349 0.50494 0.50730 0.51525 0.52276 0.52834 0.53031 0.53763 0.54124 0.55039 0.55332 0.55713 0.55999 0.56291 0.56762 0.57338 0.57815 0.58286 0.58863 0.59664 0.60097 0.60935 0.61777 0.62248 0.62493 0.63474 0.63822 0.63990 0.64717 0.65045 0.65182 0.65915 0.66597 0.66641 0.66802 0.67133 0.68007 0.68347 0.69153 0.69440 0.70016 0.70431 0.71149 0.71685 0.72044 0.72299 0.73245 0.73944 0.74122 0.74715 0.75290 0.75412 0.76139 0.77334 0.77966 0.78862 0.78882 0.79968 0.80898 0.81660 0.82630 0.84369 0.85193 0.85847 0.86862 0.88421 0.88712 0.89821 0.90384 0.91026 0.91900 0.92076 0.93211 0.94222 0.94329 0.95084 0.95660 0.96765 0.97133 0.97903 0.98836 0.99690 1.00304 1.03508 1.04041 1.05530 1.06183 1.06896 1.07200 1.08003 1.08340 1.11326 1.11969 1.12202 1.13284 1.13625 1.14737 1.16115 1.16870 1.17541 1.20254 1.21866 1.23075 1.23893 1.25827 1.27301 1.29544 1.31123 1.32810 1.32884 1.33742 1.34118 1.35269 1.36247 1.37645 1.38214 1.38791 1.39328 1.40275 1.40459 1.40770 1.40909 1.41015 1.41583 1.41929 1.42443 1.43033 1.43614 1.43821 1.44426 1.45182 1.45439 1.45839 1.46638 1.47314 1.47668 1.48049 1.48177 1.49100 1.49436 1.50369 1.50796 1.51340 1.52115 1.52626 1.53296 1.54146 1.54604 1.55138 1.55551 1.55981 1.56862 1.57855 1.58067 1.59607 1.60770 1.61097 1.61766 1.62364 1.63135 1.63489 1.64175 1.65636 1.65953 1.66954 1.67097 1.67596 1.68534 1.68890 1.70038 1.70654 1.71009 1.72168 1.72491 1.73515 1.74674 1.76199 1.77201 1.77921 1.78255 1.79830 1.80905 1.81639 1.82248 1.82844 1.84124 1.84236 1.86095 1.86224 1.87807 1.88497 1.89710 1.90674 1.92897 1.93514 1.93670 1.94863 1.95965 1.96706 1.98054 2.00004 2.00584 2.01246 2.01862 2.02564 2.04835 2.05698 2.06957 2.07841 2.08017 2.08483 2.09899 2.11121 2.12071 2.13686 2.15478 2.15981 2.17445 2.18271 2.20182 2.20443 2.22809 2.23005 2.24017 2.25504 2.27952 2.29840 2.30627 2.31915 2.32891 2.34652 2.37200 2.37973 2.39226 2.40065 2.41714 2.42104 2.43481 2.45931 2.46983 2.47018 2.49193 2.50752 2.51446 2.53094 2.53398 2.54002 2.54023 2.54883 2.57465 2.58809 2.60237 2.60650 2.61376 2.64061 2.64304 2.64800 2.65878 2.67353 2.69534 2.70515 2.71142 2.72097 2.73876 2.74086 2.74871 2.77829 2.78736 2.80509 2.82777 2.84305 2.85027 2.86291 2.86593 2.88478 2.88846 2.89300 2.90763 2.92011 2.93122 2.96774 2.97509 2.98901 3.00393 3.02406 3.05011 3.06522 3.06737 3.06928 3.08617 3.09500 3.09883 3.11696 3.12773 3.16239 3.17315 3.18979 3.20001 3.20537 3.22275 3.24466 3.24979 3.33705 3.36777 3.39353 3.42609 3.43465 3.51338 3.55863 3.58390 3.62759 3.63244 3.66701 3.70117 3.70607 3.73630 3.74139 3.75112 3.75226 3.75427 3.75995 3.76084 3.76548 3.76692 3.76736 3.77554 3.78131 3.78584 3.79257 3.79716 3.80254 3.81421 3.82004 3.82755 3.82987 3.88349 3.89768 3.90497 3.91966 3.92956 3.93625 3.97025 3.97726 3.97997 3.99490 3.99790 4.03435 4.05838 4.10571 4.12752 4.14640 4.15885 4.17638 4.18023 4.19172 4.23578 4.29309 4.37441 4.52114 4.53803 4.68364 4.76901 4.79299 4.87869 4.90721 4.91614 4.91982 4.94808 5.05286 5.09295 5.26576 5.37899 5.64487 5.87893 6.28576 6.29302 6.29866 6.32212 6.33355 6.35465 6.35863 6.36515 6.37955 6.38680 6.40231 6.42037 6.45430 6.49845 6.52182 6.59890 6.71733 6.72275 6.74696 6.80466 6.83326 9.79955 23.40496 23.46253 23.60290 23.77798 23.78463 23.84601 23.85557 23.86515 23.88126 23.93794 23.94837 23.97333 23.97706 23.99298 24.02348 24.10170 24.18362 25.86162 26.16053 26.60671 49.90695 50.01610 66.73524 66.75124 66.76086 66.76487 66.79449 66.80778 66.84373 215.79747 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 Cl F F F F F F F O O C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H 0.419655 -0.154297 -0.071174 -0.072370 -0.184539 -0.184257 -0.198017 -0.196835 0.066429 -0.242782 0.187199 0.152085 -0.221243 -0.496799 -0.519781 -0.340236 -0.320973 -0.391820 0.185751 0.417306 0.673643 -0.518869 -0.270256 -0.545097 -0.503383 1.217107 -0.195189 0.191014 0.167041 0.128805 0.156013 0.158579 0.169990 0.147295 0.150488 0.147874 0.187429 0.189069 0.185452 0.165138 0.164553 -0.00000 3.8730 1.7252 2.0962 4.7297 -166.5295 -168.2039 -160.6338 -15.7938 -0.0249 0.2545 -1.4071 -3.0815 4.4886 -15.7938 -0.0249 0.2545 255.2378 -5.9805 12.5999 -29.9457 -9.5957 5.9038 7.4027 -17.9695 11.4209 -30.3736 -17543.2342 -2788.1076 -1299.5165 -452.2669 204.4797 148.2173 -5.7327 -16.5621 11.6747 -3557.7491 -3068.2047 -681.3310 -94.2449 -7.4544 26.7964 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-CIBELES2-320 VALENTIN 2023-05-13T00:00:00.000 0 Wavefunction Tefluthrin-trans/ CONF42 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1966.2508206 RMSD=5.782e-09 Dipole=-1.4390957,0.9934765,0.6361237 Quadrupole=-3.6201007,3.5552588,0.0648419,-0.4351753,11.4901829,-1.2529519 PG=C01 [X(C17H14Cl1F7O2)] 0 4.9902310979 -2.7049472422 0.1426741407 0 5.6898329768 1.0703054334 -0.7090334374 0 5.9713897949 -0.6862692105 -1.9594528319 0 7.0953521636 -0.4783347483 -0.1138338306 0 -2.5915015463 -0.8015939728 -2.43386635 0 -3.8974602833 0.1948701348 1.9977456788 0 -5.7516338618 1.904987861 1.0666652809 0 -4.4461869993 0.9066913728 -3.364317746 0 -0.9490380267 -0.5129410066 0.5638155566 0 0.0570164943 -2.3772457382 1.3392945663 0 2.0358832197 -0.2640153051 2.5953840946 0 2.6522647832 -0.9231424307 1.3741642234 0 1.2583225845 -0.2925680025 1.2843049724 0 2.529090258 1.0974142681 3.0530792965 0 1.6364806003 -1.1742151228 3.7420350889 0 3.7592882614 -0.3203095396 0.6260715746 0 0.098785153 -1.196908297 1.0822830972 0 4.784300152 -0.970464138 0.0726012961 0 -2.1492089217 -1.2962420963 0.3325599739 0 5.8863348174 -0.2671628618 -0.678610022 0 -3.1937181872 -0.3585105403 -0.1904703548 0 -3.3646160487 -0.1410287703 -1.5545653644 0 -4.0205505541 0.3597903913 0.6686690857 0 -4.9773037856 1.2417696894 0.1864225086 0 -4.3231595991 0.7415846329 -2.0334819803 0 -5.1575241035 1.4563020358 -1.1778291803 0 -6.1877462034 2.4200755929 -1.6990761896 0 2.6310887999 -2.0060569489 1.3956613877 0 1.174122728 0.6556217091 0.767754742 0 2.746660976 1.7745319009 2.2254240779 0 3.4389963668 0.9895151604 3.6508816184 0 1.7694777051 1.5746689333 3.6785111807 0 1.2967014022 -2.1494087933 3.3965836911 0 0.8312644456 -0.7170811875 4.3257481778 0 2.4929480079 -1.3191958158 4.4069322943 0 3.7602656814 0.7563293203 0.5036967565 0 -2.4619942373 -1.7539209284 1.2708121232 0 -1.92732952 -2.0845499184 -0.3863371187 0 -5.756579257 3.4205342065 -1.8023714216 0 -6.5446247979 2.1081637173 -2.680421831 0 -7.0316756598 2.489723944 -1.0131122876 Gaussian 16 13-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C17H14ClF7O2)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.9902,-2.7049,.1427;5.6898,1.0703,-.709;5.9714,-.6863,-1.9595;7.0954,-.4783,-.1138;-2.5915,-.8016,-2.4339;-3.8975,.1949,1.9977;-5.7516,1.905,1.0667;-4.4462,.9067,-3.3643;-.949,-.5129,.5638;.057,-2.3772,1.3393;2.0359,-.264,2.5954;2.6523,-.9231,1.3742;1.2583,-.2926,1.2843;2.5291,1.0974,3.0531;1.6365,-1.1742,3.742;3.7593,-.3203,.6261;.0988,-1.1969,1.0823;4.7843,-.9705,.0726;-2.1492,-1.2962,.3326;5.8863,-.2672,-.6786;-3.1937,-.3585,-.1905;-3.3646,-.141,-1.5546;-4.0206,.3598,.6687;-4.9773,1.2418,.1864;-4.3232,.7416,-2.0335;-5.1575,1.4563,-1.1778;-6.1877,2.4201,-1.6991;2.6311,-2.0061,1.3957;1.1741,.6556,.7678;2.7467,1.7745,2.2254;3.439,.9895,3.6509;1.7695,1.5747,3.6785;1.2967,-2.1494,3.3966;.8313,-.7171,4.3257;2.4929,-1.3192,4.4069;3.7603,.7563,.5037;-2.462,-1.7539,1.2708;-1.9273,-2.0846,-.3863;-5.7566,3.4205,-1.8024;-6.5446,2.1082,-2.6804;-7.0317,2.4897,-1.0131; oldchk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-trans/gaussian/gas/CON #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum Tefluthrin-trans/ CONF42 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 35 19 19 19 19 19 19 19 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 686 A 686 1101 713 106 106 2647.3409482735 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0427866994 0.000000 3.932859 0.000000 3.075170 2.174483 0.000000 3.074920 2.174404 2.170907 0.000000 8.230673 8.663692 8.576799 9.966051 0.000000 9.531070 10.000462 10.669116 11.214005 4.726273 0.000000 11.725738 11.608487 12.381490 13.119408 5.437439 2.688749 0.000000 10.695275 10.479323 10.631890 12.070256 2.687720 5.436866 4.725928 0.000000 6.344854 6.942724 7.368124 8.072956 3.430321 3.354154 5.400386 5.447535 0.000000 5.086835 6.914469 6.980039 7.433412 4.871762 4.763111 7.221653 7.292945 2.255913 0.000000 4.549957 5.104012 6.034323 5.743172 6.855293 5.980996 8.227210 8.882896 3.619253 3.155854 0.000000 3.187081 4.188122 4.710170 4.706699 6.481740 6.673657 8.872338 8.728661 3.714069 2.975054 1.518471 0.000000 4.588032 5.046693 5.734978 6.005016 5.376342 5.227685 7.349565 7.455826 2.332404 2.406666 1.524580 1.532571 0.000000 5.383830 4.913708 6.336910 5.776078 7.741658 6.574866 8.553853 9.480182 4.570236 4.595810 1.518627 2.629939 2.583692 0.000000 5.152299 6.424916 7.178892 6.719468 7.493760 5.961664 8.439392 9.582759 4.150093 3.116914 1.517496 2.588758 2.638322 2.536082 0.000000 2.726791 2.728245 3.422317 3.420783 7.065931 7.795685 9.777715 9.206441 4.712676 4.294938 2.617534 1.465794 2.586285 3.068174 3.865837 0.000000 5.204161 6.293559 6.633279 7.134353 4.444910 4.329561 6.621888 6.697325 1.354457 1.208717 2.629090 2.584647 1.484308 3.879992 3.072345 3.791548 0.000000 1.748070 2.365520 2.370484 2.370213 7.791877 8.968676 10.966417 10.026865 5.772503 5.092225 3.797012 2.498376 3.789497 4.271457 4.838908 1.334046 4.798415 0.000000 7.279568 8.254456 8.459877 9.291402 2.844893 2.837718 4.874859 4.878107 1.451706 2.655092 4.868353 4.927301 3.677560 5.917542 5.096161 5.995743 2.371799 6.946025 0.000000 2.724023 1.352169 1.350349 1.351032 8.674114 10.153768 11.966893 10.740203 6.951716 6.519612 5.054209 3.886309 5.027144 5.201795 6.198880 2.495866 6.120531 1.507790 8.164033 0.000000 8.520198 9.012652 9.340018 10.290053 2.364702 2.364270 3.639608 3.639055 2.373054 4.121013 5.926099 6.078027 4.690413 6.737275 6.281783 7.000893 3.628139 8.005777 1.497966 9.093623 0.000000 8.902683 9.174165 9.360674 10.564110 1.344330 3.607723 4.093274 2.354298 3.234327 5.008259 6.811945 6.737360 5.427127 7.582869 7.357474 7.452337 4.479174 8.351076 2.524475 9.293186 1.391855 0.000000 9.532233 9.833333 10.384611 11.174885 3.607869 1.344914 2.354291 4.092096 3.194815 4.956577 6.386059 6.831552 5.354538 7.009087 6.618214 7.809625 4.423044 8.924700 2.521375 10.017715 1.392023 2.371464 0.000000 10.720552 10.706029 11.322368 12.198276 4.090636 2.354348 1.346949 3.605845 4.410029 6.306407 7.566722 8.019220 6.514797 8.036449 7.888061 8.886024 5.702315 10.009787 3.802760 11.001991 2.425721 2.746622 1.387741 0.000000 10.166292 10.105555 10.393363 11.642837 2.353794 4.090344 3.606239 1.346670 4.438973 6.347335 7.929379 7.939768 6.574962 8.541256 8.517288 8.574777 5.746246 9.503290 3.804859 10.348286 2.425395 1.388227 2.745717 2.367713 0.000000 11.047020 10.864342 11.360206 12.450216 3.641455 3.641874 2.364750 2.364065 4.962116 6.944309 8.303116 8.553784 7.091103 8.781425 8.791086 9.269301 6.306855 10.309832 4.348303 11.188672 2.850431 2.430620 2.429939 1.392726 1.392525 0.000000 12.434029 11.994955 12.552361 13.687749 4.883856 4.885022 2.846899 2.845416 6.416177 8.440560 9.657889 9.938194 8.467759 10.015770 10.185438 10.576366 7.767819 11.619828 5.852209 12.411528 4.354381 3.814473 3.814149 2.531537 2.530977 1.503967 0.000000 2.761155 4.821790 4.914900 4.954004 6.587220 6.915818 9.256055 9.012732 3.967199 2.601309 2.197342 1.083335 2.198393 3.519797 2.680798 2.169527 2.676843 2.731165 4.948259 4.233554 6.257683 6.937625 7.097187 8.360519 8.226186 8.903554 10.341175 0.000000 5.123166 4.769120 5.679094 6.092948 5.153036 5.238905 7.043889 6.980325 2.432065 3.282205 2.220043 2.246137 1.083041 2.693293 3.522559 2.766875 2.164982 4.020047 3.878621 5.014823 4.585269 5.160230 5.204033 6.206574 6.170448 6.672041 7.962140 3.098637 0.000000 5.425605 4.215357 5.828174 5.427582 7.539323 6.833119 8.577923 9.150706 4.653135 5.025602 2.190377 2.830371 2.715467 1.091255 3.496815 2.823420 4.140951 4.040003 6.081293 4.739144 6.758293 7.436760 7.086616 8.006310 8.317910 8.611594 9.779676 3.872301 2.418602 0.000000 5.325683 4.907306 6.379430 5.449459 8.752093 7.562269 9.590826 10.554430 5.571552 5.302481 2.157346 3.075817 3.464067 1.094047 2.817641 3.311752 4.747121 4.295981 6.889411 5.129640 7.782420 8.640830 8.058225 9.104956 9.624164 9.870892 11.105977 3.835647 3.681516 1.768476 0.000000 6.417983 5.905431 7.386105 6.852857 7.875654 6.069844 7.968561 9.417119 4.631390 4.901233 2.150557 3.511181 3.078973 1.093594 2.752833 4.107028 4.148886 5.345039 5.898612 6.270994 6.583275 7.529119 6.637734 7.604247 8.392921 8.460580 9.641088 4.333056 3.109919 1.762468 1.769311 0.000000 4.953656 6.820723 7.258141 6.981395 7.136447 5.867854 8.458468 9.382447 3.968116 2.412709 2.177847 2.726071 2.812659 3.489790 1.088940 4.133482 2.774572 4.960052 4.689396 6.419874 6.019812 7.090511 6.481571 7.821021 8.332244 8.693873 10.142135 2.409321 3.846292 4.344112 3.808798 3.764539 0.000000 6.224687 7.221459 8.119457 7.681516 7.577259 5.349027 7.799450 9.467061 4.166928 3.503500 2.156510 3.474241 3.100478 2.791898 1.094562 4.734803 3.359587 5.812052 5.016393 7.127395 6.060139 7.246747 6.170412 7.396660 8.314782 8.418940 9.767639 3.672361 3.828992 3.779979 3.188759 2.559547 1.769616 0.000000 5.132312 6.488674 7.282240 6.505882 8.539090 6.995277 9.461811 10.653567 5.221768 4.057540 2.145698 3.062666 3.511277 2.770240 1.093912 4.110511 4.098812 4.915113 6.176622 6.203595 7.375446 8.440296 7.695406 8.954100 9.601306 9.870292 11.252553 3.091701 4.345436 3.794008 2.607061 3.070580 1.772305 1.769272 0.000000 3.691014 2.300549 3.610715 3.609507 7.169473 7.822288 9.597530 9.073589 4.877725 4.922557 2.896507 2.192260 2.822987 2.851576 4.327158 1.083572 4.190029 2.053364 6.258133 2.639234 7.076908 7.470317 7.792661 8.756794 8.472264 9.101894 10.323914 3.114710 2.601539 2.242426 3.172123 3.835670 4.783436 5.035679 4.598820 0.000000 7.596895 8.851459 9.093759 9.741008 3.827315 2.527208 4.924532 5.700904 2.080604 2.595889 4.919879 5.182328 3.997060 6.018099 4.820840 6.416797 2.627432 7.386359 1.089781 8.700879 2.148938 3.376226 2.694337 4.059168 4.539807 4.854612 6.334328 5.100848 4.390935 6.363282 6.929131 5.897616 4.336255 4.610122 5.880110 6.753247 0.000000 6.965443 8.250964 8.174329 9.168586 2.505888 3.842008 5.714274 4.915337 2.080817 2.645960 5.283187 5.041916 4.018784 6.466387 5.529277 6.039465 2.655164 6.818928 1.089712 8.027557 2.149725 2.684739 3.386652 4.549154 4.054642 4.857803 6.337672 4.894983 4.296449 6.600000 7.385558 6.601459 4.970822 5.628815 6.565063 6.419618 1.772378 0.000000 12.521927 11.736239 12.427219 13.536044 5.314402 5.319974 3.244731 3.236697 6.647069 8.791030 9.676706 9.983314 8.516076 9.880517 10.320344 10.509186 7.995455 11.571799 6.310232 12.264559 4.842279 4.297398 4.299766 3.051161 3.047109 2.146422 1.094300 10.489437 7.892080 9.551835 10.963869 9.491513 10.382782 9.903201 11.361126 10.148215 6.861030 6.853777 0.000000 12.813618 12.435654 12.844426 14.118297 4.914739 5.705561 3.835463 2.512905 6.978958 8.936369 10.348260 10.498155 9.075713 10.780861 10.906532 11.090582 8.319636 12.058260 6.323584 12.813203 4.849012 4.054488 4.543586 3.380226 2.687188 2.146336 1.089812 10.850575 8.577812 10.512213 11.874741 10.480694 10.795523 10.558038 11.985621 10.869997 6.869921 6.645381 1.764739 0.000000 13.147117 12.804062 13.418726 14.463436 5.706703 4.914766 2.511155 3.836523 6.964279 8.914638 10.140264 10.541606 9.041203 10.482399 10.543852 11.270675 8.296108 12.359974 6.323200 13.213149 4.849649 4.545477 4.053626 2.686395 3.381302 2.146517 1.089777 10.926264 8.594798 10.325477 11.560209 10.015436 10.503753 10.030596 11.601862 11.035006 6.641297 6.882672 1.764995 1.778406 0.000000 C17H14ClF7O2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.1375,-.2838,-1.6621;-5.0831,-1.6445,2.0274;-5.5475,-2.7061,.1874;-6.7874,-1.0402,.82;2.8695,-2.1673,-1.3701;3.904,2.2395,-.011;6.1081,1.3371,1.2369;5.0736,-3.0688,-.124;1.0264,.5655,-.4202;-.3586,1.4307,-1.9765;-2.0478,2.1942,.5775;-2.6514,.9948,-.1316;-1.1666,.9944,.248;-2.3367,2.4299,2.0496;-1.9238,3.4775,-.2228;-3.5603,.0583,.5358;-.169,1.0349,-.8503;-4.626,-.5309,-.0089;2.0878,.5678,-1.4107;-5.5122,-1.4816,.7556;3.3247,.0638,-.7326;3.6593,-1.2872,-.7308;4.1793,.9236,-.0482;5.3166,.4562,.595;4.7983,-1.7512,-.0868;5.6599,-.8935,.5924;6.8872,-1.4004,1.2985;-2.8219,1.1445,-1.1909;-.8696,.3843,1.0921;-2.3533,1.5095,2.6356;-3.3039,2.9266,2.1712;-1.568,3.0794,2.4778;-1.7285,3.2897,-1.2774;-1.1101,4.0935,.1727;-2.8515,4.0509,-.1371;-3.3616,-.1879,1.5722;2.2256,1.5828,-1.7826;1.8007,-.0753,-2.2422;6.6492,-1.6688,2.3324;7.2754,-2.2907,.8042;7.6616,-.634,1.3227; 0.3026305 0.0600673 0.0556337 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 686 RedAO= T EigKep= 1.27D-06 NBF= 686 NBsUse= 685 1.00D-06 EigRej= 9.37D-07 NBFU= 685 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 680 680 680 680 680 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1966.25082059701 -1966.25082060 1 1.960017878915e+03 -9.933118409779e+03 3.359551548694e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245691381 LenY= 4245182299 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 5.0516 245.44 0.0234 0.000 104 109 -0.30571 105 107 0.60801 105 108 -0.12712 -1966.06517820 2 Singlet-A 5.4083 229.25 0.1669 0.000 106 107 0.69719 3 Singlet-A 5.5187 224.66 0.0622 0.000 103 107 0.10488 103 108 0.29301 103 111 0.21483 104 107 0.18393 104 108 0.33854 104 111 0.17239 106 108 0.34570 106 111 0.11083 4 Singlet-A 5.6266 220.35 0.3518 0.000 103 108 -0.17865 103 111 -0.13127 104 108 -0.24280 104 111 -0.11468 105 108 0.18864 106 108 0.54467 106 111 0.12821 5 Singlet-A 5.6339 220.07 0.0241 0.000 104 108 0.10399 105 107 0.14939 105 108 0.63490 105 110 -0.14569 106 108 -0.12367 6 Singlet-A 5.6720 218.59 0.0002 0.000 105 108 0.14137 105 110 0.68155 7 Singlet-A 5.7643 215.09 0.1230 0.000 103 107 0.10971 104 107 0.60333 104 108 -0.10592 105 109 0.25566 106 108 -0.13379 8 Singlet-A 6.0013 206.59 0.0031 0.000 103 110 -0.10377 104 110 0.50386 106 110 0.34673 106 111 0.14403 106 112 0.22956 106 113 0.11375 9 Singlet-A 6.0365 205.39 0.0066 0.000 104 110 -0.35736 106 111 0.25653 106 112 0.45210 106 113 0.23977 10 Singlet-A 6.0636 204.47 0.0012 0.000 102 108 -0.12542 103 107 -0.25297 103 108 -0.19354 103 111 -0.20408 104 108 0.48148 104 111 -0.11498 106 109 0.13614 106 112 0.16788 PT43855.900S 2023-05-13T04:54:30.000 -101.57566 -24.72847 -24.72588 -24.72527 -24.72353 -24.72314 -24.72121 -24.72115 -19.19002 -19.12969 -10.44758 -10.32249 -10.30079 -10.30078 -10.29722 -10.29707 -10.26606 -10.26298 -10.23639 -10.23267 -10.22795 -10.22400 -10.21697 -10.21657 -10.20170 -10.18720 -10.17673 -9.49007 -7.25494 -7.24472 -7.24444 -1.33116 -1.27249 -1.27176 -1.25841 -1.25784 -1.24467 -1.23949 -1.12954 -1.04301 -0.92156 -0.92017 -0.90166 -0.84255 -0.80376 -0.79099 -0.78382 -0.76293 -0.74253 -0.71867 -0.71381 -0.67631 -0.67234 -0.65513 -0.63673 -0.61243 -0.60840 -0.60339 -0.59130 -0.58658 -0.58512 -0.57428 -0.56607 -0.55864 -0.53611 -0.53100 -0.52844 -0.51175 -0.50458 -0.49728 -0.49461 -0.48964 -0.48712 -0.48395 -0.48377 -0.48075 -0.47040 -0.46015 -0.45757 -0.45421 -0.45069 -0.44497 -0.44452 -0.44110 -0.43408 -0.42655 -0.42590 -0.42443 -0.41972 -0.41599 -0.40787 -0.40602 -0.40177 -0.39562 -0.39044 -0.38774 -0.37394 -0.37111 -0.34178 -0.33735 -0.33108 -0.31470 -0.30421 -0.28486 -0.27313 -0.27125 -0.05872 -0.05139 -0.03267 -0.02959 -0.01658 -0.01101 0.00065 0.00639 0.01050 0.01491 0.02041 0.02371 0.02947 0.03267 0.03722 0.03924 0.04168 0.04581 0.04830 0.05280 0.05387 0.06100 0.06279 0.06552 0.06842 0.07073 0.07304 0.07550 0.07937 0.08338 0.08452 0.08782 0.09422 0.09789 0.09977 0.10436 0.10644 0.10952 0.11102 0.11366 0.11718 0.12279 0.12433 0.12890 0.12994 0.13213 0.13425 0.13519 0.13750 0.14319 0.14496 0.14574 0.14674 0.15265 0.15314 0.15765 0.15808 0.16174 0.16407 0.16778 0.16954 0.17436 0.17549 0.17923 0.18068 0.18215 0.18619 0.18861 0.19185 0.19361 0.19489 0.20216 0.20326 0.20646 0.20911 0.21102 0.21446 0.21622 0.22122 0.22422 0.22584 0.23010 0.23160 0.23424 0.23595 0.23888 0.24321 0.24509 0.24723 0.25008 0.25234 0.25324 0.26157 0.26541 0.26948 0.27225 0.27557 0.27849 0.28191 0.28479 0.29058 0.29389 0.29463 0.29802 0.30278 0.30579 0.30946 0.31464 0.31862 0.32400 0.32469 0.32677 0.33089 0.33403 0.33645 0.33988 0.34295 0.34416 0.35100 0.35400 0.35587 0.35894 0.36214 0.36499 0.36772 0.36882 0.37052 0.37455 0.38080 0.38333 0.38585 0.38703 0.39047 0.39371 0.39919 0.40472 0.40777 0.41109 0.41743 0.42072 0.42127 0.42375 0.43252 0.43774 0.43994 0.44760 0.45771 0.46484 0.46893 0.47786 0.48548 0.48985 0.49550 0.50349 0.50494 0.50730 0.51525 0.52276 0.52834 0.53031 0.53763 0.54124 0.55039 0.55332 0.55713 0.55999 0.56291 0.56762 0.57338 0.57815 0.58286 0.58863 0.59664 0.60097 0.60935 0.61777 0.62248 0.62493 0.63474 0.63822 0.63990 0.64717 0.65045 0.65182 0.65915 0.66597 0.66641 0.66802 0.67133 0.68007 0.68347 0.69153 0.69440 0.70016 0.70431 0.71149 0.71685 0.72044 0.72299 0.73245 0.73944 0.74122 0.74715 0.75290 0.75412 0.76139 0.77334 0.77966 0.78862 0.78882 0.79968 0.80898 0.81660 0.82630 0.84369 0.85193 0.85847 0.86862 0.88421 0.88712 0.89821 0.90384 0.91026 0.91900 0.92076 0.93211 0.94222 0.94329 0.95084 0.95660 0.96765 0.97133 0.97903 0.98836 0.99690 1.00304 1.03508 1.04041 1.05530 1.06183 1.06896 1.07200 1.08003 1.08340 1.11326 1.11969 1.12202 1.13284 1.13625 1.14737 1.16115 1.16870 1.17541 1.20254 1.21866 1.23075 1.23893 1.25827 1.27301 1.29544 1.31123 1.32810 1.32884 1.33742 1.34118 1.35269 1.36247 1.37645 1.38214 1.38791 1.39328 1.40275 1.40459 1.40770 1.40909 1.41015 1.41583 1.41929 1.42443 1.43033 1.43614 1.43821 1.44426 1.45182 1.45439 1.45839 1.46638 1.47314 1.47668 1.48049 1.48177 1.49100 1.49436 1.50369 1.50796 1.51340 1.52115 1.52626 1.53296 1.54146 1.54604 1.55138 1.55551 1.55981 1.56862 1.57855 1.58067 1.59607 1.60770 1.61097 1.61766 1.62364 1.63135 1.63489 1.64175 1.65636 1.65953 1.66954 1.67097 1.67596 1.68534 1.68890 1.70038 1.70654 1.71009 1.72168 1.72491 1.73515 1.74674 1.76199 1.77201 1.77921 1.78255 1.79830 1.80905 1.81639 1.82248 1.82844 1.84124 1.84236 1.86095 1.86224 1.87807 1.88497 1.89710 1.90674 1.92897 1.93514 1.93670 1.94863 1.95965 1.96706 1.98054 2.00004 2.00584 2.01246 2.01862 2.02564 2.04835 2.05698 2.06957 2.07841 2.08017 2.08483 2.09899 2.11121 2.12071 2.13686 2.15478 2.15981 2.17445 2.18271 2.20182 2.20443 2.22809 2.23005 2.24017 2.25504 2.27952 2.29840 2.30627 2.31915 2.32891 2.34652 2.37200 2.37973 2.39226 2.40065 2.41714 2.42104 2.43481 2.45931 2.46983 2.47018 2.49193 2.50752 2.51446 2.53094 2.53398 2.54002 2.54023 2.54883 2.57465 2.58809 2.60237 2.60650 2.61376 2.64061 2.64304 2.64800 2.65878 2.67353 2.69534 2.70515 2.71142 2.72097 2.73876 2.74086 2.74871 2.77829 2.78736 2.80509 2.82777 2.84305 2.85027 2.86291 2.86593 2.88478 2.88846 2.89300 2.90763 2.92011 2.93122 2.96774 2.97509 2.98901 3.00393 3.02406 3.05011 3.06522 3.06737 3.06928 3.08617 3.09500 3.09883 3.11696 3.12773 3.16239 3.17315 3.18979 3.20001 3.20537 3.22275 3.24466 3.24979 3.33705 3.36777 3.39353 3.42609 3.43465 3.51338 3.55863 3.58390 3.62759 3.63244 3.66701 3.70117 3.70607 3.73630 3.74139 3.75112 3.75226 3.75427 3.75995 3.76084 3.76548 3.76692 3.76736 3.77554 3.78131 3.78584 3.79257 3.79716 3.80254 3.81421 3.82004 3.82755 3.82987 3.88349 3.89768 3.90497 3.91966 3.92956 3.93625 3.97025 3.97726 3.97997 3.99490 3.99790 4.03435 4.05838 4.10571 4.12752 4.14640 4.15885 4.17638 4.18023 4.19172 4.23578 4.29309 4.37441 4.52114 4.53803 4.68364 4.76901 4.79299 4.87869 4.90721 4.91614 4.91982 4.94808 5.05286 5.09295 5.26576 5.37899 5.64487 5.87893 6.28576 6.29302 6.29866 6.32212 6.33355 6.35465 6.35863 6.36515 6.37955 6.38680 6.40231 6.42037 6.45430 6.49845 6.52182 6.59890 6.71733 6.72275 6.74696 6.80466 6.83326 9.79955 23.40496 23.46253 23.60290 23.77798 23.78463 23.84601 23.85557 23.86515 23.88126 23.93794 23.94837 23.97333 23.97706 23.99298 24.02348 24.10170 24.18362 25.86162 26.16053 26.60671 49.90695 50.01610 66.73524 66.75124 66.76086 66.76487 66.79449 66.80778 66.84373 215.79747 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 Cl F F F F F F F O O C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H 0.419655 -0.154297 -0.071174 -0.072370 -0.184539 -0.184257 -0.198017 -0.196835 0.066429 -0.242782 0.187199 0.152085 -0.221243 -0.496799 -0.519781 -0.340236 -0.320973 -0.391820 0.185751 0.417306 0.673643 -0.518868 -0.270256 -0.545097 -0.503383 1.217107 -0.195189 0.191014 0.167041 0.128805 0.156013 0.158579 0.169990 0.147295 0.150488 0.147874 0.187429 0.189069 0.185452 0.165138 0.164553 -0.00000 3.8730 1.7252 2.0962 4.7297 -166.5295 -168.2039 -160.6338 -15.7938 -0.0249 0.2545 -1.4071 -3.0815 4.4886 -15.7938 -0.0249 0.2545 255.2378 -5.9805 12.5999 -29.9457 -9.5957 5.9038 7.4027 -17.9695 11.4209 -30.3736 -17543.2342 -2788.1076 -1299.5165 -452.2669 204.4797 148.2173 -5.7327 -16.5621 11.6747 -3557.7491 -3068.2047 -681.3310 -94.2449 -7.4544 26.7964 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-CIBELES2-320 VALENTIN 2023-05-13T00:00:00.000 0 Electronic spectrum Tefluthrin-trans/ CONF42 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1966.2508206 RMSD=4.981e-09 PG=C01 [X(C17H14Cl1F7O2)] 0 4.9902310979 -2.7049472422 0.1426741407 0 5.6898329768 1.0703054334 -0.7090334374 0 5.9713897949 -0.6862692105 -1.9594528319 0 7.0953521636 -0.4783347483 -0.1138338306 0 -2.5915015463 -0.8015939728 -2.43386635 0 -3.8974602833 0.1948701348 1.9977456788 0 -5.7516338618 1.904987861 1.0666652809 0 -4.4461869993 0.9066913728 -3.364317746 0 -0.9490380267 -0.5129410066 0.5638155566 0 0.0570164943 -2.3772457382 1.3392945663 0 2.0358832197 -0.2640153051 2.5953840946 0 2.6522647832 -0.9231424307 1.3741642234 0 1.2583225845 -0.2925680025 1.2843049724 0 2.529090258 1.0974142681 3.0530792965 0 1.6364806003 -1.1742151228 3.7420350889 0 3.7592882614 -0.3203095396 0.6260715746 0 0.098785153 -1.196908297 1.0822830972 0 4.784300152 -0.970464138 0.0726012961 0 -2.1492089217 -1.2962420963 0.3325599739 0 5.8863348174 -0.2671628618 -0.678610022 0 -3.1937181872 -0.3585105403 -0.1904703548 0 -3.3646160487 -0.1410287703 -1.5545653644 0 -4.0205505541 0.3597903913 0.6686690857 0 -4.9773037856 1.2417696894 0.1864225086 0 -4.3231595991 0.7415846329 -2.0334819803 0 -5.1575241035 1.4563020358 -1.1778291803 0 -6.1877462034 2.4200755929 -1.6990761896 0 2.6310887999 -2.0060569489 1.3956613877 0 1.174122728 0.6556217091 0.767754742 0 2.746660976 1.7745319009 2.2254240779 0 3.4389963668 0.9895151604 3.6508816184 0 1.7694777051 1.5746689333 3.6785111807 0 1.2967014022 -2.1494087933 3.3965836911 0 0.8312644456 -0.7170811875 4.3257481778 0 2.4929480079 -1.3191958158 4.4069322943 0 3.7602656814 0.7563293203 0.5036967565 0 -2.4619942373 -1.7539209284 1.2708121232 0 -1.92732952 -2.0845499184 -0.3863371187 0 -5.756579257 3.4205342065 -1.8023714216 0 -6.5446247979 2.1081637173 -2.680421831 0 -7.0316756598 2.489723944 -1.0131122876 Gaussian 16 13-May-2023 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 117 C1[X(C17H14ClF7O2)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:4.9902,-2.7049,.1427;5.6898,1.0703,-.709;5.9714,-.6863,-1.9595;7.0954,-.4783,-.1138;-2.5915,-.8016,-2.4339;-3.8975,.1949,1.9977;-5.7516,1.905,1.0667;-4.4462,.9067,-3.3643;-.949,-.5129,.5638;.057,-2.3772,1.3393;2.0359,-.264,2.5954;2.6523,-.9231,1.3742;1.2583,-.2926,1.2843;2.5291,1.0974,3.0531;1.6365,-1.1742,3.742;3.7593,-.3203,.6261;.0988,-1.1969,1.0823;4.7843,-.9705,.0726;-2.1492,-1.2962,.3326;5.8863,-.2672,-.6786;-3.1937,-.3585,-.1905;-3.3646,-.141,-1.5546;-4.0206,.3598,.6687;-4.9773,1.2418,.1864;-4.3232,.7416,-2.0335;-5.1575,1.4563,-1.1778;-6.1877,2.4201,-1.6991;2.6311,-2.0061,1.3957;1.1741,.6556,.7678;2.7467,1.7745,2.2254;3.439,.9895,3.6509;1.7695,1.5747,3.6785;1.2967,-2.1494,3.3966;.8313,-.7171,4.3257;2.4929,-1.3192,4.4069;3.7603,.7563,.5037;-2.462,-1.7539,1.2708;-1.9273,-2.0846,-.3863;-5.7566,3.4205,-1.8024;-6.5446,2.1082,-2.6804;-7.0317,2.4897,-1.0131; oldchk=/home/valentin/Almacen/Insecticides/G3/Tefluthrin-trans/gaussian/gas/CON #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point Tefluthrin-trans/ CONF42 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 35 19 19 19 19 19 19 19 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1349 A 1187 A 1187 1737 1349 106 106 2647.3409482735 41 41 41 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0427866994 0.000000 3.932859 0.000000 3.075170 2.174483 0.000000 3.074920 2.174404 2.170907 0.000000 8.230673 8.663692 8.576799 9.966051 0.000000 9.531070 10.000462 10.669116 11.214005 4.726273 0.000000 11.725738 11.608487 12.381490 13.119408 5.437439 2.688749 0.000000 10.695275 10.479323 10.631890 12.070256 2.687720 5.436866 4.725928 0.000000 6.344854 6.942724 7.368124 8.072956 3.430321 3.354154 5.400386 5.447535 0.000000 5.086835 6.914469 6.980039 7.433412 4.871762 4.763111 7.221653 7.292945 2.255913 0.000000 4.549957 5.104012 6.034323 5.743172 6.855293 5.980996 8.227210 8.882896 3.619253 3.155854 0.000000 3.187081 4.188122 4.710170 4.706699 6.481740 6.673657 8.872338 8.728661 3.714069 2.975054 1.518471 0.000000 4.588032 5.046693 5.734978 6.005016 5.376342 5.227685 7.349565 7.455826 2.332404 2.406666 1.524580 1.532571 0.000000 5.383830 4.913708 6.336910 5.776078 7.741658 6.574866 8.553853 9.480182 4.570236 4.595810 1.518627 2.629939 2.583692 0.000000 5.152299 6.424916 7.178892 6.719468 7.493760 5.961664 8.439392 9.582759 4.150093 3.116914 1.517496 2.588758 2.638322 2.536082 0.000000 2.726791 2.728245 3.422317 3.420783 7.065931 7.795685 9.777715 9.206441 4.712676 4.294938 2.617534 1.465794 2.586285 3.068174 3.865837 0.000000 5.204161 6.293559 6.633279 7.134353 4.444910 4.329561 6.621888 6.697325 1.354457 1.208717 2.629090 2.584647 1.484308 3.879992 3.072345 3.791548 0.000000 1.748070 2.365520 2.370484 2.370213 7.791877 8.968676 10.966417 10.026865 5.772503 5.092225 3.797012 2.498376 3.789497 4.271457 4.838908 1.334046 4.798415 0.000000 7.279568 8.254456 8.459877 9.291402 2.844893 2.837718 4.874859 4.878107 1.451706 2.655092 4.868353 4.927301 3.677560 5.917542 5.096161 5.995743 2.371799 6.946025 0.000000 2.724023 1.352169 1.350349 1.351032 8.674114 10.153768 11.966893 10.740203 6.951716 6.519612 5.054209 3.886309 5.027144 5.201795 6.198880 2.495866 6.120531 1.507790 8.164033 0.000000 8.520198 9.012652 9.340018 10.290053 2.364702 2.364270 3.639608 3.639055 2.373054 4.121013 5.926099 6.078027 4.690413 6.737275 6.281783 7.000893 3.628139 8.005777 1.497966 9.093623 0.000000 8.902683 9.174165 9.360674 10.564110 1.344330 3.607723 4.093274 2.354298 3.234327 5.008259 6.811945 6.737360 5.427127 7.582869 7.357474 7.452337 4.479174 8.351076 2.524475 9.293186 1.391855 0.000000 9.532233 9.833333 10.384611 11.174885 3.607869 1.344914 2.354291 4.092096 3.194815 4.956577 6.386059 6.831552 5.354538 7.009087 6.618214 7.809625 4.423044 8.924700 2.521375 10.017715 1.392023 2.371464 0.000000 10.720552 10.706029 11.322368 12.198276 4.090636 2.354348 1.346949 3.605845 4.410029 6.306407 7.566722 8.019220 6.514797 8.036449 7.888061 8.886024 5.702315 10.009787 3.802760 11.001991 2.425721 2.746622 1.387741 0.000000 10.166292 10.105555 10.393363 11.642837 2.353794 4.090344 3.606239 1.346670 4.438973 6.347335 7.929379 7.939768 6.574962 8.541256 8.517288 8.574777 5.746246 9.503290 3.804859 10.348286 2.425395 1.388227 2.745717 2.367713 0.000000 11.047020 10.864342 11.360206 12.450216 3.641455 3.641874 2.364750 2.364065 4.962116 6.944309 8.303116 8.553784 7.091103 8.781425 8.791086 9.269301 6.306855 10.309832 4.348303 11.188672 2.850431 2.430620 2.429939 1.392726 1.392525 0.000000 12.434029 11.994955 12.552361 13.687749 4.883856 4.885022 2.846899 2.845416 6.416177 8.440560 9.657889 9.938194 8.467759 10.015770 10.185438 10.576366 7.767819 11.619828 5.852209 12.411528 4.354381 3.814473 3.814149 2.531537 2.530977 1.503967 0.000000 2.761155 4.821790 4.914900 4.954004 6.587220 6.915818 9.256055 9.012732 3.967199 2.601309 2.197342 1.083335 2.198393 3.519797 2.680798 2.169527 2.676843 2.731165 4.948259 4.233554 6.257683 6.937625 7.097187 8.360519 8.226186 8.903554 10.341175 0.000000 5.123166 4.769120 5.679094 6.092948 5.153036 5.238905 7.043889 6.980325 2.432065 3.282205 2.220043 2.246137 1.083041 2.693293 3.522559 2.766875 2.164982 4.020047 3.878621 5.014823 4.585269 5.160230 5.204033 6.206574 6.170448 6.672041 7.962140 3.098637 0.000000 5.425605 4.215357 5.828174 5.427582 7.539323 6.833119 8.577923 9.150706 4.653135 5.025602 2.190377 2.830371 2.715467 1.091255 3.496815 2.823420 4.140951 4.040003 6.081293 4.739144 6.758293 7.436760 7.086616 8.006310 8.317910 8.611594 9.779676 3.872301 2.418602 0.000000 5.325683 4.907306 6.379430 5.449459 8.752093 7.562269 9.590826 10.554430 5.571552 5.302481 2.157346 3.075817 3.464067 1.094047 2.817641 3.311752 4.747121 4.295981 6.889411 5.129640 7.782420 8.640830 8.058225 9.104956 9.624164 9.870892 11.105977 3.835647 3.681516 1.768476 0.000000 6.417983 5.905431 7.386105 6.852857 7.875654 6.069844 7.968561 9.417119 4.631390 4.901233 2.150557 3.511181 3.078973 1.093594 2.752833 4.107028 4.148886 5.345039 5.898612 6.270994 6.583275 7.529119 6.637734 7.604247 8.392921 8.460580 9.641088 4.333056 3.109919 1.762468 1.769311 0.000000 4.953656 6.820723 7.258141 6.981395 7.136447 5.867854 8.458468 9.382447 3.968116 2.412709 2.177847 2.726071 2.812659 3.489790 1.088940 4.133482 2.774572 4.960052 4.689396 6.419874 6.019812 7.090511 6.481571 7.821021 8.332244 8.693873 10.142135 2.409321 3.846292 4.344112 3.808798 3.764539 0.000000 6.224687 7.221459 8.119457 7.681516 7.577259 5.349027 7.799450 9.467061 4.166928 3.503500 2.156510 3.474241 3.100478 2.791898 1.094562 4.734803 3.359587 5.812052 5.016393 7.127395 6.060139 7.246747 6.170412 7.396660 8.314782 8.418940 9.767639 3.672361 3.828992 3.779979 3.188759 2.559547 1.769616 0.000000 5.132312 6.488674 7.282240 6.505882 8.539090 6.995277 9.461811 10.653567 5.221768 4.057540 2.145698 3.062666 3.511277 2.770240 1.093912 4.110511 4.098812 4.915113 6.176622 6.203595 7.375446 8.440296 7.695406 8.954100 9.601306 9.870292 11.252553 3.091701 4.345436 3.794008 2.607061 3.070580 1.772305 1.769272 0.000000 3.691014 2.300549 3.610715 3.609507 7.169473 7.822288 9.597530 9.073589 4.877725 4.922557 2.896507 2.192260 2.822987 2.851576 4.327158 1.083572 4.190029 2.053364 6.258133 2.639234 7.076908 7.470317 7.792661 8.756794 8.472264 9.101894 10.323914 3.114710 2.601539 2.242426 3.172123 3.835670 4.783436 5.035679 4.598820 0.000000 7.596895 8.851459 9.093759 9.741008 3.827315 2.527208 4.924532 5.700904 2.080604 2.595889 4.919879 5.182328 3.997060 6.018099 4.820840 6.416797 2.627432 7.386359 1.089781 8.700879 2.148938 3.376226 2.694337 4.059168 4.539807 4.854612 6.334328 5.100848 4.390935 6.363282 6.929131 5.897616 4.336255 4.610122 5.880110 6.753247 0.000000 6.965443 8.250964 8.174329 9.168586 2.505888 3.842008 5.714274 4.915337 2.080817 2.645960 5.283187 5.041916 4.018784 6.466387 5.529277 6.039465 2.655164 6.818928 1.089712 8.027557 2.149725 2.684739 3.386652 4.549154 4.054642 4.857803 6.337672 4.894983 4.296449 6.600000 7.385558 6.601459 4.970822 5.628815 6.565063 6.419618 1.772378 0.000000 12.521927 11.736239 12.427219 13.536044 5.314402 5.319974 3.244731 3.236697 6.647069 8.791030 9.676706 9.983314 8.516076 9.880517 10.320344 10.509186 7.995455 11.571799 6.310232 12.264559 4.842279 4.297398 4.299766 3.051161 3.047109 2.146422 1.094300 10.489437 7.892080 9.551835 10.963869 9.491513 10.382782 9.903201 11.361126 10.148215 6.861030 6.853777 0.000000 12.813618 12.435654 12.844426 14.118297 4.914739 5.705561 3.835463 2.512905 6.978958 8.936369 10.348260 10.498155 9.075713 10.780861 10.906532 11.090582 8.319636 12.058260 6.323584 12.813203 4.849012 4.054488 4.543586 3.380226 2.687188 2.146336 1.089812 10.850575 8.577812 10.512213 11.874741 10.480694 10.795523 10.558038 11.985621 10.869997 6.869921 6.645381 1.764739 0.000000 13.147117 12.804062 13.418726 14.463436 5.706703 4.914766 2.511155 3.836523 6.964279 8.914638 10.140264 10.541606 9.041203 10.482399 10.543852 11.270675 8.296108 12.359974 6.323200 13.213149 4.849649 4.545477 4.053626 2.686395 3.381302 2.146517 1.089777 10.926264 8.594798 10.325477 11.560209 10.015436 10.503753 10.030596 11.601862 11.035006 6.641297 6.882672 1.764995 1.778406 0.000000 C17H14ClF7O2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 404.62252239999975 AuxInfo=1/0/N:11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;1;2;3;4;5;6;7;8;9;10;28;29;30;31;32;33;34;35;36;37;38;39;40;41/rA:41nCl0F0F0F0F0F0F0F0O0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-5.1375,-.2838,-1.6621;-5.0831,-1.6445,2.0274;-5.5475,-2.7061,.1874;-6.7874,-1.0402,.82;2.8695,-2.1673,-1.3701;3.904,2.2395,-.011;6.1081,1.3371,1.2369;5.0736,-3.0688,-.124;1.0264,.5655,-.4202;-.3586,1.4307,-1.9765;-2.0478,2.1942,.5775;-2.6514,.9948,-.1316;-1.1666,.9944,.248;-2.3367,2.4299,2.0496;-1.9238,3.4775,-.2228;-3.5603,.0583,.5358;-.169,1.0349,-.8503;-4.626,-.5309,-.0089;2.0878,.5678,-1.4107;-5.5122,-1.4816,.7556;3.3247,.0638,-.7326;3.6593,-1.2872,-.7308;4.1793,.9236,-.0482;5.3166,.4562,.595;4.7983,-1.7512,-.0868;5.6599,-.8935,.5924;6.8872,-1.4004,1.2985;-2.8219,1.1445,-1.1909;-.8696,.3843,1.0921;-2.3533,1.5095,2.6356;-3.3039,2.9266,2.1712;-1.568,3.0794,2.4778;-1.7285,3.2897,-1.2774;-1.1101,4.0935,.1727;-2.8515,4.0509,-.1371;-3.3616,-.1879,1.5722;2.2256,1.5828,-1.7826;1.8007,-.0753,-2.2422;6.6492,-1.6688,2.3324;7.2754,-2.2907,.8042;7.6616,-.634,1.3227; 0.3026305 0.0600673 0.0556337 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 1187 RedAO= T EigKep= 1.16D-06 NBF= 1187 NBsUse= 1183 1.00D-06 EigRej= 9.92D-07 NBFU= 1183 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 1267 1267 1267 1267 1267 MxSgAt= 41 MxSgA2= 41. 1 Closed 1 1 1 -1966.25451915478 -1966.30463912704 -0.050119972262 -1966.35447106592 -0.049831938878 -1966.35556432761 -0.001093261689 -1966.35571027775 -0.000145950144 -1966.35571659921 -0.000006321460 -1966.35571863784 -0.000002038624 -1966.35571871142 -0.000000073587 -1966.35571872685 -0.000000015427 -1966.35571872791 -0.000000001055 -1966.35571872798 -0.000000000071 -1966.35571872806 -0.000000000085 -1966.35571873 12 1.959503031888e+03 -9.933439418960e+03 3.360282506770e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4243048841 LenY= 4241227691 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. PT40099S 2023-05-13T05:22:22.000 -101.57276 -24.72589 -24.72418 -24.72362 -24.72205 -24.72168 -24.71917 -24.71915 -19.18850 -19.12692 -10.44212 -10.31820 -10.29592 -10.29590 -10.29245 -10.29231 -10.26251 -10.25904 -10.23227 -10.22808 -10.22585 -10.22082 -10.21435 -10.21390 -10.19876 -10.18508 -10.17456 -9.48720 -7.25132 -7.24231 -7.24196 -1.32481 -1.26793 -1.26719 -1.25388 -1.25338 -1.23963 -1.23485 -1.12459 -1.03813 -0.91780 -0.91529 -0.89762 -0.83827 -0.80032 -0.78651 -0.78027 -0.76046 -0.73916 -0.71553 -0.71170 -0.67297 -0.66872 -0.65129 -0.63315 -0.60864 -0.60482 -0.59938 -0.58814 -0.58367 -0.58228 -0.57155 -0.56313 -0.55529 -0.53306 -0.52879 -0.52611 -0.51010 -0.50224 -0.49484 -0.49231 -0.48784 -0.48486 -0.48234 -0.48162 -0.47848 -0.46804 -0.45819 -0.45580 -0.45114 -0.44902 -0.44316 -0.44245 -0.43893 -0.43158 -0.42475 -0.42436 -0.42234 -0.41749 -0.41331 -0.40580 -0.40330 -0.39968 -0.39340 -0.38878 -0.38543 -0.37157 -0.36935 -0.34040 -0.33536 -0.32944 -0.31324 -0.30219 -0.28207 -0.26981 -0.26939 -0.05642 -0.05008 -0.02954 -0.02816 -0.01478 -0.01072 -0.00012 0.00663 0.01028 0.01452 0.01970 0.02331 0.02966 0.03239 0.03643 0.03835 0.04149 0.04506 0.04786 0.05225 0.05363 0.06062 0.06223 0.06520 0.06734 0.07004 0.07305 0.07464 0.07867 0.08299 0.08376 0.08676 0.09359 0.09794 0.09907 0.10541 0.10703 0.10930 0.10990 0.11210 0.11656 0.12173 0.12229 0.12696 0.12760 0.13001 0.13214 0.13303 0.13632 0.14162 0.14291 0.14434 0.14730 0.14951 0.15301 0.15396 0.15806 0.16048 0.16283 0.16516 0.16810 0.17260 0.17322 0.17619 0.17853 0.17996 0.18350 0.18507 0.18834 0.18951 0.19112 0.19696 0.19912 0.20346 0.20568 0.20660 0.20972 0.21303 0.21654 0.21901 0.22246 0.22427 0.22698 0.23008 0.23410 0.23515 0.23871 0.24099 0.24235 0.24628 0.24844 0.24981 0.25184 0.25679 0.26025 0.26220 0.26877 0.26975 0.27291 0.27881 0.28012 0.28378 0.28849 0.29333 0.29524 0.29883 0.29903 0.30369 0.30693 0.30872 0.31011 0.31320 0.31907 0.32033 0.32125 0.32330 0.32489 0.32905 0.33282 0.33648 0.33794 0.33990 0.34107 0.34205 0.34800 0.35036 0.35219 0.35509 0.35818 0.36054 0.36404 0.36602 0.36921 0.37082 0.37235 0.37867 0.38053 0.38478 0.38688 0.38803 0.39000 0.39131 0.39460 0.39570 0.40083 0.40242 0.40342 0.40865 0.40973 0.41539 0.41715 0.42109 0.42687 0.42853 0.43219 0.43744 0.43994 0.44755 0.44864 0.44987 0.45433 0.45957 0.46080 0.46242 0.46508 0.47222 0.47361 0.48041 0.48572 0.48692 0.49530 0.49691 0.49873 0.50023 0.50274 0.50875 0.51233 0.52222 0.52296 0.52841 0.53184 0.53439 0.53687 0.53903 0.54091 0.54550 0.54793 0.55347 0.55958 0.56011 0.56301 0.56424 0.57065 0.57467 0.57820 0.58086 0.58756 0.58963 0.59288 0.60009 0.60227 0.60733 0.61027 0.61298 0.61566 0.62017 0.62328 0.62584 0.63040 0.63388 0.63608 0.63895 0.64266 0.65300 0.65430 0.65523 0.65850 0.66292 0.66772 0.67078 0.67856 0.68225 0.68688 0.69279 0.69757 0.70190 0.70797 0.71096 0.71463 0.71801 0.72293 0.72722 0.73312 0.73810 0.74192 0.74761 0.75452 0.75954 0.76245 0.76758 0.77040 0.77349 0.77999 0.78311 0.78608 0.79404 0.79545 0.79933 0.80869 0.81090 0.81754 0.82347 0.82935 0.82967 0.83812 0.83963 0.84839 0.85046 0.85870 0.86665 0.87264 0.87786 0.88459 0.89421 0.90120 0.90661 0.91049 0.91617 0.92771 0.93349 0.93698 0.94083 0.95184 0.95778 0.96402 0.97069 0.97681 0.98497 0.98544 0.98747 0.99598 0.99825 1.01117 1.02193 1.02521 1.03097 1.03917 1.04114 1.05101 1.05673 1.05849 1.07084 1.08215 1.08959 1.09167 1.09667 1.09962 1.10301 1.10557 1.11113 1.11327 1.11967 1.12309 1.13185 1.13867 1.14467 1.14783 1.15502 1.16034 1.16152 1.16468 1.16921 1.17294 1.17900 1.18396 1.18585 1.19215 1.19433 1.20087 1.20181 1.20642 1.21254 1.21803 1.21854 1.22782 1.22956 1.23304 1.23494 1.24056 1.24376 1.25174 1.25353 1.26095 1.26178 1.26958 1.27369 1.27499 1.27844 1.28093 1.28475 1.29279 1.29609 1.29680 1.29929 1.30620 1.31063 1.31276 1.31475 1.31679 1.31702 1.31953 1.32631 1.33222 1.33403 1.33493 1.34210 1.34311 1.34776 1.35219 1.35569 1.35749 1.36322 1.36486 1.36628 1.37484 1.37779 1.38061 1.38505 1.38791 1.38973 1.39377 1.39632 1.39890 1.40333 1.40673 1.40719 1.41407 1.41834 1.42064 1.42668 1.42863 1.43032 1.43459 1.43660 1.43828 1.44103 1.44869 1.45016 1.45460 1.46353 1.47028 1.47165 1.48019 1.48199 1.48472 1.49175 1.49541 1.49847 1.50541 1.51009 1.51372 1.52064 1.52885 1.53502 1.53760 1.54639 1.54991 1.55120 1.55588 1.56428 1.56733 1.56999 1.57478 1.58050 1.58600 1.59186 1.59580 1.60210 1.61424 1.61865 1.62316 1.63638 1.64124 1.64376 1.65229 1.65391 1.66099 1.66852 1.67583 1.68188 1.68355 1.69083 1.70252 1.70611 1.70678 1.71014 1.71545 1.72577 1.73109 1.73497 1.74380 1.76476 1.77060 1.78117 1.78189 1.78520 1.79868 1.81976 1.82182 1.83333 1.83857 1.84557 1.85039 1.85375 1.86184 1.86746 1.87382 1.89006 1.89196 1.89987 1.90756 1.91720 1.92859 1.92934 1.93296 1.94113 1.95223 1.95381 1.96573 1.98436 1.99840 2.01161 2.01439 2.01894 2.03318 2.04163 2.04481 2.05497 2.05842 2.06285 2.06641 2.07418 2.07810 2.09138 2.09668 2.10557 2.11007 2.11304 2.12179 2.12872 2.13551 2.14729 2.16677 2.17139 2.18253 2.18968 2.19858 2.21646 2.22454 2.23076 2.23500 2.23626 2.24236 2.24938 2.25062 2.26112 2.27119 2.27872 2.29199 2.30196 2.31399 2.31458 2.31921 2.33601 2.34184 2.34891 2.36017 2.36983 2.37193 2.38110 2.39757 2.40790 2.42373 2.43734 2.44162 2.45213 2.47657 2.50023 2.50962 2.51129 2.52364 2.54086 2.55157 2.55873 2.57543 2.59905 2.61381 2.63001 2.64449 2.64877 2.65575 2.67274 2.67597 2.67794 2.69081 2.72185 2.73393 2.73921 2.75832 2.75961 2.76907 2.78477 2.78639 2.79672 2.80101 2.80943 2.81780 2.82990 2.83693 2.83987 2.84210 2.84874 2.86066 2.87831 2.88623 2.89765 2.90033 2.90552 2.91064 2.91749 2.92348 2.92785 2.93601 2.93890 2.94352 2.96162 2.96684 2.97558 2.97839 2.98375 2.98953 2.99452 3.00681 3.01770 3.02335 3.03122 3.03808 3.04348 3.05500 3.05615 3.06259 3.07146 3.07921 3.08852 3.10271 3.11566 3.12132 3.12477 3.12821 3.13811 3.15259 3.16669 3.17724 3.18490 3.18928 3.19989 3.20340 3.20813 3.21429 3.21644 3.21866 3.22815 3.23364 3.24926 3.25213 3.25849 3.26250 3.26633 3.26829 3.27186 3.28234 3.28915 3.30243 3.31206 3.31960 3.32892 3.33394 3.34331 3.35145 3.36838 3.37313 3.38275 3.39917 3.40269 3.40906 3.42133 3.43289 3.43554 3.44547 3.44747 3.46153 3.47618 3.48359 3.49126 3.49467 3.50318 3.51074 3.53159 3.54885 3.55252 3.55956 3.56702 3.58755 3.59258 3.59817 3.60006 3.61687 3.62414 3.62675 3.63090 3.64184 3.65645 3.66100 3.67127 3.67743 3.69324 3.70026 3.71100 3.71675 3.73548 3.74912 3.75401 3.75809 3.78665 3.78719 3.80542 3.81557 3.82665 3.84600 3.84838 3.85778 3.86843 3.87137 3.89507 3.91299 3.92040 3.94531 3.95111 3.96916 3.98853 3.99753 4.01858 4.02895 4.03463 4.03891 4.10378 4.12307 4.13662 4.15193 4.16644 4.17029 4.18115 4.18673 4.19489 4.20930 4.23308 4.24671 4.25955 4.28323 4.28557 4.30892 4.31262 4.31842 4.32181 4.32525 4.32751 4.33609 4.34947 4.35742 4.35994 4.36598 4.37113 4.37734 4.38500 4.39016 4.41368 4.43233 4.43426 4.45584 4.46935 4.47383 4.47988 4.48385 4.49619 4.50667 4.52927 4.54184 4.54831 4.55721 4.56627 4.57711 4.60878 4.61304 4.62167 4.63130 4.63609 4.64203 4.65157 4.66501 4.66907 4.67448 4.67645 4.68012 4.69529 4.70170 4.70494 4.71180 4.71470 4.71712 4.72514 4.73237 4.73409 4.73799 4.74145 4.74241 4.74753 4.75042 4.75975 4.77413 4.77458 4.78029 4.78878 4.79959 4.80569 4.81125 4.82695 4.83291 4.84389 4.85216 4.88202 4.89262 4.90303 4.91284 4.92247 4.94541 4.96164 4.98367 5.00298 5.00827 5.03596 5.07537 5.10832 5.14671 5.15510 5.15744 5.16168 5.18953 5.19572 5.19705 5.21348 5.22716 5.23742 5.26809 5.27425 5.28289 5.30039 5.31040 5.32106 5.35366 5.36206 5.39705 5.42769 5.45254 5.46482 5.52931 5.53880 5.56919 5.59305 5.62584 5.63694 5.64210 5.69307 5.71251 5.72952 5.74444 5.74829 5.75799 5.77015 5.77754 5.81461 5.82465 5.83743 5.84988 5.88795 5.91304 5.92603 5.95558 5.99179 6.00901 6.12837 6.35180 6.37301 6.37459 6.37735 6.39608 6.42288 6.45013 6.49046 6.50187 6.51269 6.51665 6.52526 6.52978 6.57919 6.58164 6.59247 6.59673 6.60007 6.60525 6.60718 6.60737 6.60803 6.61002 6.61385 6.62167 6.62342 6.62821 6.64381 6.66172 6.68295 6.68909 6.69544 6.69731 6.69813 6.71170 6.72141 6.72758 6.73681 6.73737 6.75070 6.75180 6.77418 6.77490 6.80300 6.80790 6.81883 6.82975 6.83938 6.85735 6.86666 6.87699 6.88461 6.90763 6.91728 6.92891 6.94674 6.95072 6.98318 7.00445 7.01848 7.04219 7.07487 7.08791 7.13189 7.15288 7.17187 7.17608 7.18758 7.19939 7.23257 7.23977 7.24491 7.24710 7.26074 7.26405 7.27111 7.28732 7.28959 7.30458 7.30765 7.31249 7.33348 7.35931 7.38244 7.40052 7.40793 7.41952 7.44707 7.45391 7.45606 7.46799 7.47057 7.49116 7.49923 7.50122 7.53850 7.54096 7.55156 7.55217 7.55669 7.59784 7.62029 7.63897 7.64144 7.66275 7.66536 7.67112 7.67973 7.68891 7.69262 7.69409 7.70530 7.72272 7.73909 7.76436 7.78748 7.79075 7.80454 7.81316 7.82683 7.87496 7.90201 7.91744 7.94948 7.95201 7.99127 8.00380 8.00595 8.01591 8.05994 8.06616 8.08844 8.09248 8.10708 8.11144 8.11470 8.12752 8.13948 8.20943 8.22166 8.28142 8.31797 8.34226 8.35186 8.40111 8.41710 8.42160 8.51455 8.60226 8.65172 8.68599 8.72387 8.73718 8.82653 8.90922 8.95673 9.01758 9.08106 9.10159 9.12587 9.36975 10.08420 14.41273 14.42669 14.45336 14.47489 14.55662 14.68844 14.79899 14.97129 15.07079 15.23365 19.28033 19.28284 19.29970 19.30349 19.30691 19.32048 19.32771 19.33337 19.34008 19.34233 19.34888 19.35001 19.35561 19.35845 19.36251 19.36314 19.37160 19.38099 19.39479 19.39632 19.41027 19.43459 19.43590 19.44917 19.45570 19.47265 19.50030 19.51907 19.62071 19.66807 19.69972 19.79266 19.79518 19.84734 19.85282 24.07553 24.20181 24.30802 24.41869 24.42604 24.43547 24.44474 24.56206 24.65852 24.74727 24.94861 24.99365 25.13414 25.35547 25.37977 25.72111 25.74915 26.06724 26.75107 28.24915 50.23342 50.49715 66.96374 66.97044 66.99406 67.01758 67.03232 67.04427 67.04693 216.09873 1-A. Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 Cl F F F F F F F O O C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H -0.375906 -0.518789 -0.442095 -0.442788 -0.558912 -0.560671 -0.553973 -0.552191 -0.460577 -0.726557 0.314877 0.175372 -0.342904 -0.452662 -0.515334 0.422554 0.626929 -0.396990 0.108153 1.381171 0.754716 0.000103 0.066336 0.102187 0.121320 0.957364 -0.326521 0.164015 0.130754 0.150082 0.152148 0.148180 0.178251 0.148427 0.141330 0.159612 0.168562 0.163104 0.177909 0.156777 0.156639 -0.00000 3.7453 1.6002 2.1202 4.5917 -165.0896 -166.7401 -160.0412 -14.9806 -0.1148 0.5193 -1.1327 -2.7831 3.9158 -14.9806 -0.1148 0.5193 242.2300 -9.4271 12.7569 -28.1384 -10.0925 6.1996 6.9403 -18.4556 10.9602 -28.7730 -17415.4614 -2769.4102 -1295.1399 -412.6385 190.3326 153.3616 -4.1632 -21.0629 10.9755 -3522.7217 -3056.0090 -678.2844 -85.7541 -8.0418 30.6663 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-CIBELES2-320 VALENTIN 2023-05-13T00:00:00.000 0 Single Point Tefluthrin-trans/ CONF42 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1966.3557187 RMSD=4.102e-09 Dipole=-1.3826629,0.9996422,0.5936196 Quadrupole=-3.2810061,3.0651929,0.2158132,-0.4414278,10.9346947,-1.0355613 PG=C01 [X(C17H14Cl1F7O2)] 0 4.9902310979 -2.7049472422 0.1426741407 0 5.6898329768 1.0703054334 -0.7090334374 0 5.9713897949 -0.6862692105 -1.9594528319 0 7.0953521636 -0.4783347483 -0.1138338306 0 -2.5915015463 -0.8015939728 -2.43386635 0 -3.8974602833 0.1948701348 1.9977456788 0 -5.7516338618 1.904987861 1.0666652809 0 -4.4461869993 0.9066913728 -3.364317746 0 -0.9490380267 -0.5129410066 0.5638155566 0 0.0570164943 -2.3772457382 1.3392945663 0 2.0358832197 -0.2640153051 2.5953840946 0 2.6522647832 -0.9231424307 1.3741642234 0 1.2583225845 -0.2925680025 1.2843049724 0 2.529090258 1.0974142681 3.0530792965 0 1.6364806003 -1.1742151228 3.7420350889 0 3.7592882614 -0.3203095396 0.6260715746 0 0.098785153 -1.196908297 1.0822830972 0 4.784300152 -0.970464138 0.0726012961 0 -2.1492089217 -1.2962420963 0.3325599739 0 5.8863348174 -0.2671628618 -0.678610022 0 -3.1937181872 -0.3585105403 -0.1904703548 0 -3.3646160487 -0.1410287703 -1.5545653644 0 -4.0205505541 0.3597903913 0.6686690857 0 -4.9773037856 1.2417696894 0.1864225086 0 -4.3231595991 0.7415846329 -2.0334819803 0 -5.1575241035 1.4563020358 -1.1778291803 0 -6.1877462034 2.4200755929 -1.6990761896 0 2.6310887999 -2.0060569489 1.3956613877 0 1.174122728 0.6556217091 0.767754742 0 2.746660976 1.7745319009 2.2254240779 0 3.4389963668 0.9895151604 3.6508816184 0 1.7694777051 1.5746689333 3.6785111807 0 1.2967014022 -2.1494087933 3.3965836911 0 0.8312644456 -0.7170811875 4.3257481778 0 2.4929480079 -1.3191958158 4.4069322943 0 3.7602656814 0.7563293203 0.5036967565 0 -2.4619942373 -1.7539209284 1.2708121232 0 -1.92732952 -2.0845499184 -0.3863371187 0 -5.756579257 3.4205342065 -1.8023714216 0 -6.5446247979 2.1081637173 -2.680421831 0 -7.0316756598 2.489723944 -1.0131122876